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README ProMOL (C) Copyright 2004-2014 Charlie Westin, Brett Hanson & Paul Craig GPL, No Warranty 4.2 by Cyprian Corwin and Greg Dodge Monday, July 25, 2011 Based on Maddy's and Mario Rosa's versions 5.3-r367 by the SBEVSL team, see the User's Guide Thursday, 31 July 2014 -- HJB Special Thanks to the following for their contributions to ProMOL: Laura Grell, Chris Parkin, T.J. Esposito, C. Wischmeyer /*************************** GPL NOTICES ****************************** * * * This program is free software; you can redistribute it and/or * * modify it under the terms of the GNU General Public License as * * published by the Free Software Foundation; either version 2 of * * the License, or (at your option) any later version. * * * * This program is distributed in the hope that it will be useful, * * but WITHOUT ANY WARRANTY; without even the implied warranty of * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * * GNU General Public License for more details. * * * * You should have received a copy of the GNU General Public License * * along with this program; if not, write to the Free Software * * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA * * 02111-1307 USA * * * **********************************************************************/ ProMOL is a product of the Structural Biology Extensible Visualization Language (SBEVSL) project, supported in part by Award Number R15GM078077 from the National Institute Of General Medical Sciences. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute Of General Medical Sciences or the National Institutes of Health. The purpose of ProMOL is to assist in the visualization of protein structures in PyMOL, as well as assist in the identification of small catalytic sites, and the creation of catalytic site motifs. ========================================================================= ProMOL Installation Instructions ProMOL is a plugin for PyMOL. PyMOL is available as an open source program from http://sourceforge.net/projects/pymol/ and is incorporated into many Unix releases. PyMOL is also available in proprietary versions from http://www.pymol.org. See that website for information on PyMOL licensing. PyMOL is a program that was written by the late Warren DeLano. PyMOL is a trademark of Schrodinger, LLC. ProMOL is a plugin for PyMOL, not a derivative part of PyMOL, but depends on having a copy of PyMOL in order to operate. Therefore, in order to use ProMOL, you first must have a copy of PyMOL installed. Download PyMOL from http://pymol.sourceforge.net and install to default location. ProMOL can be downloaded in a compressed file format from http://sourceforge.net/projects/sbevsl/files You can choose to download either a .tar.gz compressed file (ProMOL-5.1-r247.tar.gz) or a zip compressed file (ProMOL-5.1-r247.zip). The way you expand the file depends on your operating system. On Unix or Linux systems, or using MINGW under Windows you may unpack the tarball with gunzip < ProMOL-5.3-r367.tar.gz | tar xvf - Windows and Macintosh systems may have a native application that will expand your .tar.gz or .zip files; if not you may wish to consider using Stuffit Expander or WinZip. If you have not already done so, first install PyMOL. Under Mac OS X you may need to rename the MacPymol application to MacPymolX11Hybrid, in order to get access to plugins. You will also need to have the X window system installed. This is included on your Mac OS install disc, but may not be installed by default. To install ProMOL, copy ProMol.py and the folder ProMol into the correct place in the directory tree used by PyMOL for plugins. For example, for PyMOL 1.7.1 under Microsoft Windows: C:\Program Files\PyMol\modules\pmg_tk\startup\ On other systems you will need to find the portion of the PyMOL installation tree that contains pmg_tk/startup and place ProMol.py and the folder ProMol in the startup folder. For example in a fink PyMOL installation for python 2.4, 2.5 or 2.6 under Mac OS X, the ProMol.py file and ProMol folder belongs under /sw/lib/pymol-py24/modules/pmg_tk/startup or /sw/lib/pymol-py25/modules/pmg_tk/startup or /sw/lib/pymol-py26/modules/pmg_tk/startup However, we believe that this version of ProMOL may use features of the Python language that were introduced in 2.6, so it may not run with earlier versions. Furthermore, has only been tested on Python 2.{5,6,7}.x, and will not work with Python 3. For PyMOL installed from the Ubuntu Software Center (it may be the same from source), ProMol.py and the ProMol folder can be placed under: /usr/lib/pymodules/python2.7/pmg_tk/startup When all files are in place, the ProMOL interface can be run by choosing ProMOL from the PyMOL plug-in menu. ========================================================================= WARNING: While running a search with the Motif Finder, PLEASE DO NOT double-click in the results list of a previous search, or load, modify, manipulate, or clear any structures or named selections present in PyMOL. Doing so will likely lead to erroneous results! Other important notes and tips: - Motifs generated using the Motif Maker tab are stored the subfolder UserMotifs in the ProMOL application data directory. This folder is usually located in the following places: Windows: %AppData%/SBEVSL/ProMol/ (On Windows 7, %AppData% may be located at C:\Users\[User Name]\AppData\Roaming) Mac OS X/Darwin: ~/Library/Application Support/SBEVSL/ProMol Other platforms, including Ubuntu: ~/.sbevsl/ProMol - Do not install motifs obtained from any source except SBEVSL or your Motif Maker tab inside either ProMOL's Motifs folder or your UserMotifs folder. You have been warned! - Motif finder searches tend to run significantly faster if, once the search is started, the user selects the PyMOL Viewer window and presses Escape to switch into text mode. To switch back, simply press Escape again. - Exporting CSV files via the user interface button for a search with no results will cause ProMOL to hang. As a workaround, check the CSV file generated for each search located in your application data directory (see above). ========================================================================= Work done in part with support from NIH and Nation Institute of General Medical Sciences (NIGMS) under Grant number 1R15GM078077-01. ASBMB Annual Meeting April 28 -- May 3, 2007 Washington, DC Using PyMOL's Selection Algebra for Enzyme Catalytic Site Prediction B. R. Hanson, C. Westin, P. A Craig <> American Crystallographic Association Meeting 21 -- 26 July 2007 Salt Lake City, Utah ProMOL, Simplification and Increased Functionality of PyMOL B. Hanson, C. Westin, L. Slatest, P. Craig <> American Crystallographic Association Meeting 31 May -- 5 June 2008 Knoxville, TN Homology Exploration with ProMOL C. Wischmeyer, P. Craig, H. Bernstein The ProMOL plugin for PyMOL is an intuitive user interface that gives users access to many of the complex tools that exist within PyMOL, without requiring that the user learn to program in Python. Among its many tools, ProMOL features a motifmatching interface that can compare enzyme active sites based on the relative positions of the catalytic residues. Tools found in ProMOL can be used to compare any structure with more than 30 known calalytic active site motifs, which were drawn from the Catalytic Site Atlas (http://www.ebi.ac.uk/thorntonsrv/databases/CSA/). The motif analysis tool can be fine tuned to narrow or expand the three dimensional search space for active site alignment. Alignment results for enzyme classes across different taxonomic categories will be presented and compared, along with suggestions for implementing more effective alignment strategies with the motif tool in ProMOL. ========================================================================= [Update by current developers: there are now several sets of motifs that may be individually selected as of 24 July 2014: The P-set of hand generated motifs, the A-set of automatically generated motifs, the M-set of motifs with metal ions and amino acids, and the R-set of other metal ion motifs.] ========================================================================= The previous developers of ProMOL had incorporated a modified version of the PDB Loader Service plugin into promolglobals.py. We have removed that code from ProMOL in favor of launching the existing copy on the user's machine that is distributed with PyMol, and using PyMOL's built-in functionality. The following notice was included with older versions of ProMOL, and may no longer be required, but we have included it for the sake of completeness. We believe it no longer applies to anything in ProMOL. # Copyright Notice # ================ # # The PyMOL Plugin source code [below this point] is copyrighted, but you can # freely use and copy it as long as you don't change or remove any of # the copyright notices. # # ---------------------------------------------------------------------- # This PyMOL Plugin is Copyright (C) 2004 by Charles Moad <[email protected]> # # All Rights Reserved # # Permission to use, copy, modify, distribute, and distribute modified # versions of this software and its documentation for any purpose and # without fee is hereby granted, provided that the above copyright # notice appear in all copies and that both the copyright notice and # this permission notice appear in supporting documentation, and that # the name(s) of the author(s) not be used in advertising or publicity # pertaining to distribution of the software without specific, written # prior permission. # # THE AUTHOR(S) DISCLAIM ALL WARRANTIES WITH REGARD TO THIS SOFTWARE, # INCLUDING ALL IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS. IN # NO EVENT SHALL THE AUTHOR(S) BE LIABLE FOR ANY SPECIAL, INDIRECT OR # CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS OF # USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE OR # OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE OR # PERFORMANCE OF THIS SOFTWARE. # ---------------------------------------------------------------------- ========================================================================= Change log: Revision 367 Modified Thursday, July 31, 2014 by Herbert J. Bernstein Make state of EC number entry boxes consistent with their content. If there is a number is it enabled. If there is a bank or zero and we are below the top level it is disabled. This fixes a bug report by Talia McKay. Revision 364 Modified Thursday, July 24, 2014 by Herbert J. Bernstein Change background color to white on alignment Revision 363 Modified Thursday, July 24, 2014 by Herbert J. Bernstein Update readme.txt, version.py, and installer to r363 Revision 362 Modified Thursday, July 24, 2014 by Herbert J. Bernstein. Update to algorithm 1.2, changing Levenshtein distance filter to be based on the minimum distance relative to the length os the motif rather than the maximum. Change the background for alignment images to white. Update the Users Guide as editied by T. McKay. Revision 347 Modified Sunday, July 13, 2014 by Herbert J. Bernstein Remove pre-installed U set motifs Add latest metal ion motifs Add buttons to select Metal Amino and Metal Other to select M set and R set. Add a draft 5.3 windows installer HJB merging KVAS r346 branch into trunk Revision 305 Modified Tuesday, June 24, 2014 by Herbert J. Bernstein Correct index error in RMSD reporting in EC coce changes in motif.py Revision 241 Modified Wednesday, Novembe 20, 2013 Cameron Baker's updated proutils Revision 228 Modified Monday, October 28, 2013 by Herbert J. Bernstein Temporary patches 1. Display non-bonded atoms as small balls -- HJB 2. Cut off Lev. dist. at 1 -- KB Revision 224 Modified Friday, June 21, 2013 by Herbert J. Bernstein Release 224 fix -- require at least 2 residues in a match Fix by MK and HJB Revision 219 Modified Sunday, April 21, 2013 by Herbert J. Bernstein Update installer for A_ motifs, version and readme to r219 Revision 218 Modified Sunday, April 21, 2013 by Herbert J. Bernstein Update installer and readme for r218 Revision 217 Modified Sunday, April 21, 2013 by Herbert J. Bernstein Add A_ set and related commands -- MO Revision 214 Modified Friday, April 19, 2013 by Herbert J. Bernstein Make tagged ProMOL-5.0 release Revision 213 Modified Friday, April 19, 2013 by Herbert J. Bernstein Post release fixes to allow NSIS installer to build and to make the revisio visible. -- HJB Revision 212 Modified Friday, April 19, 2013 by Herbert J. Bernstein Update to r212 for release -- HJB Revision 211 Modified Friday, April 19, 2013 by Herbert J. Bernstein Update User Guide pdf -- HJB Revision 210 Modified Friday, April 19, 2013 by Herbert J. Bernstein Update NSIS installer to r210 Update users guide as per MK changes Remove materials that may be a GPL issue. -- HJB Revision 209 Modified Thursday, April 11, 2013 by Herbert J. Bernstein Updated version of MK fix for Jess motifs being used in all Put 5.0-r209 version information everywhere Update some comments -- HJB Revision 208 Modified Friday. February 22, 2013 by Herbert J. Bernstein Fix bug in blank chain handling for fetch PDB Update version to 5.0-r208 -- HJB Revision 207 Modified Friday. February 15, 2013 by Herbert J. Bernstein Remove old nsi -- HJB Revision 206 Modified Friday. February 15, 2013 by Herbert J. Bernstein Update trunk to rev 203 from MO branch -- HJB Revision 205 Modified Friday. February 15, 2013 by Herbert J. Bernstein Bring trunk up to rev 202 from HJB branch -- HJB Revision 202 Modified Thursday, November 15, 2012 Suppress use of Jess motifs unless environment variable PROMOL_JESS is defined -- HJB Revision 201 Modified Sunday, July 22, 2012 by Herbert J. Bernstein Changes to increase readability of results -- HJB Revision 194 Modified Saturday June 09, 2012 by Herbert J. Bernstein Update installer script to check directory and set version at 194 -- HJB Revision 193 Modified Thursday June 07, 2012 by Herbert J. Bernstein Update JESS motifs -- extended shell to compensate for imprecision in selection logic. No shells. -- HJB Revision 191 Modified Monday May 28, 2012 by Herbert J. Bernstein Change Jess Motifs to sphere, not shell -- HJB Revision 190 Modified Monday May 28, 2012 by Herbert J. Bernstein Restore Help directory -- HJB Revision 189 Modified Monday May 28, 2012 by Herbert J. Bernstein Restore AminoPics -- HJB Revision 188 Modified Monday May 28, 2012 by Herbert J. Bernstein Update to Jess motifs and prepare as r188 release -- HJB Revision 187 Modified Saturday May 26, 2012 by Herbert J. Bernstein Fix missing line to populate CSV file. -- HJB Revision 186 Modified Friday May 25, 2012 by Herbert J. Bernstein Update version and nsi installer for r186 -- HJB Revision 185 Modified Friday May 25, 2012 by Herbert J. Bernstein Fix handling of selector errors in bad motifs -- HJB Revision 184 Modified Thursday May 24, 2012 by Herbert J. Bernstein Allow general code in Jab_ Jfa_ motifs -- HJB Revision 183 Modified Thursday May 24, 2012 by Herbert J. Bernstein Change .format to % for python 2.5 use -- HJB Revision 182 Modified Thursday, May 24, 2012 by Herbert J. Bernstein Pick of MM RMSD code and bring up to same level on all other code, then back convert to Python 2.5 (changing with ... as xxx xxx = ... try: xxx.__enter__() finally: xxx.__exit__() -- HJB Revision 178 Modified Monday, April 30, 2012 by Herbert J. Bernstein Add NSIS installer script for windows -- HJB Revision 177 Modified Tuesday, April 24, 2012 by Herbert J. Bernstein Revised JESS motifs, thin shell, default 0.1 Angstrom -- HJB Revision 176 Modified Tuesday, April 03, 2012 by Herbert J. Bernstein Update motifs with 2.8A shell -- HJB Revision 175 Modified Wednesday, March 28, 2012 by Herbert J. Bernstein Updated motif for thin shells using around instead of within Revision 174 Modified Tuesday, March 27, 2012 by Herbert J. Bernstein Fix bad selections -- HJB Revision 173 Modified Tuesday, March 27, 2012 by Herbert J. Bernstein correct typo in promolglobals change to Jess motifs using shells instead of spheres -- HJB Revision 172 Modified Monday, March 26, 2012 by Madolyn MacDonald RMSD implemented, a few bugs still need to be fixed Revision 171 Modified Thursday, March 22, 2012 by Herbert J. Bernstein Backconvert promolglobals to allow it to run with python 2.5 by replacing with and .format with older code -- HJB Revision 170 Modified Thursday, March 22, 2012 by Herbert J. Bernstein Backconvert 4.2 motif.py to work with python 2.5 by replacing with clauses by try...finally clauses, and replacing .format with % -- HJB Revision 167 Modified Monday, February 20, 2012 by Cyprian Corwin Changed Random PDB selection to only download the master list once per program start, like it did before 4.2. In 4.2, due to the removal of the persistent database class, the download began occcuring each time the button is clicked (my fault). This revision introduces a trivial change that eliminates many of these unneccessary data downloads; more importantly, the code present in 4.2 appears to max out the number of connections to the server as well, which should be fixed here too. Revision 164 Modified Thursday, February 16, 2012 by Herbert J. Bernstein Set up framework for installer development, starting with work by Barry LaPierre at Dowling in Fall 2011 -- HJB Revision 160 Modified Tuesday, December 13, 2011 by Cyprian Corwin r160: Restored Alex's algorithm version constant and include it in CSV headers; automatically hide the PyMOL Viewer window when starting a search and restore it when finished; changed format of version string to a simple SVN revision number for now. Revision 159 Modified Friday, December 9, 2011 by Cyprian Corwin 4.2.12. Thoroughly commented promolglobals.py; removed 2 unused dictionaries; fixed 2 spots where in a previous revision I changed the name of something but missed changing it in 2 other spots; improved motif maker file closing code. Revision 158 Modified Thursday, December 8, 2011 by Cyprian Corwin ProMOL 4.2.11. Updated funding info, restored on demand full CSV export, changed mode of all file operations from binary to text, removed help button, and replaced tabs with spaces in splitRespectingQuotes(). Revision 157 Modified Friday, December 2, 2011 by Cyprian Corwin ProMOL 4.2.10. The list of changes is extensive, and will be described in detail in a document soon to be sent out to the SBEVSL mailing list. Revision 156 Modified Saturday, August 27, 2011 by Cyprian Corwin Version 4.2.9. Commented out Optimize button on Motif Maker, since the algorithm it uses has a problem and Greg Dodge said it was not needed. Revision 155 Modified Saturday, August 27, 2011 by Cyprian Corwin Version 4.2.8. Created subfolder in OFFSITE user data folder just for automatically created CSVs. Reworked CSV export user interface. Implemented opening of new CSV folder on demand. Also replaced a tab with spaces. Revision 154 Modified Wednesday, August 10, 2011 by Cyprian Corwin 4.2.7: Restored order recommendation button in motif maker (now labeled Optimize), however it currently deletes multiple rows containing the same amino acid even at different locations/chains. Removed duplicate copy of GPL. Moved version string into its own file. Revision 153 Modified Tuesday, Aug 09 2011 by Cyprian Corwin ProMOL 4.2.6 - added basic support for row reordering in Motif Maker. Revision 152 Modified Friday, Aug 05, 2011 by Cyprian Corwin These are the changes for 4.2.5, which is a development version. Most of the files that make up ProMOL were modified, and the change list is rather extensive, so PLEASE read the updated change log near the bottom of the readme file. (The file promol- changes has not been updated since 4.2.0.) This version should be considered an experimental work in progress, and at least one feature has been temporarily disabled. It still needs to be thoroughly tested. Also, please note that in at least one file, the standard diff utility, and tools that depend on it, does not properly match up the changes, so it appears to be more different than it is. Revusuib 164 Modified Thursday, February 16, 2012 by Herbert J. Bernstein Set up framework for installer development, starting with work by Barry LaPierre at Dowling in Fall 2011 -- HJB Revision 151 Modified Tuesday, July 26, 2011 by Herbert J. Bernstein Update to Release 4.2 Revision 149 Modified Monday, July 25, 2011 by Cyprian Corwin and Greg Dodge Version 4.2. Many bug fixes, a few enhancements, and code cleanup based on Maddy's Revision 142. Major changes from 142 include a new, larger set of 440 motifs, removal of PERSISTENT database code, changes to the way PDB structures are fetched and the way the PDB Loader Service dialog is launched from within ProMOL, simplification of the way in which aligned matches are rendered and named (when double-clicking a result in Motif Finder), a fix for the issue preventing the creation of motifs for active sites containing alanine, and a fix for the hang that would formerly happen when a motif search returned zero results, among others. For the full list, please see the file promol-changes.txt. Revision 119 Modified Tue Dec 7 by vinnyrose Version 4.1rc2. Minor backwards compatibility fix. Updated readme. Revision 115 Modified Thu Aug 5 by vinnyrose Version 4.1rc1. Added and alignment option in the motif finder. [Turn alignment on and double click on a motif in the result box to see the alignment of the template pdb to the test pdb. The color of each may be specified by clicking on the color boxes adjacent to "template color" and "motif color". These boxes are only clickable if alignment is clicked on. The alignment box does not have to be clicked on prior to starting a test, but it does need to be clicked on prior to double clicking a result if you want the alignment to appear. You cannot align a PDB with itself.] Many sorts have been changed to be faster and to have backwards and forwards compatibility. All motifs have been changed to include a LOCI attribute which includes information on where the residues were located in the original template pdb. The motif maker has been updated to include the LOCI attribute. The color functions have been changed to make the custom colors more optimized and to avoid conflicting colors. global.show_as function added to compensate for cmd.as being changed to cmd.show_as due to reservation of 'as' in python 2.6. More reliable and faster finding of chains in global.update function. Revision 110 Modified Tue Jul 20 by vinnyrose Fetch falls back to non-compressed on zlib error. Thanks button removed. Revision 109 Modified Wed Jul 14 by yaya-hjb Add actual authors on copyright line. Add gpl.txt Needs a readme. -- HJB Revision 107 Modified Tue Jul 13 by vinnyrose System dependent bug fix. Revision 105 Modified Tue Jul 13 by vinnyrose ProMol Changed persistent storage. Changed gui dictionary to a class object. Several small bug fixes. Promol will now advise the user to install the 'ProMol' folder if it was not installed in the startup folder. Bug in random pdb fixed, now it actually is random. Version 4.0rc4. ConSCRIPT Some small fixes. 2.0rc4.1 Revision 98 Modified Tue Jul 6 by yaya-hjb Raise rc number to 3.2 -- HJB Revision 94 Modified Tue Jun 29 by vinnyrose ConSCRIPT select function fixed. Many changes made to the structure of the code including making the class truly classified. Before all the functions were in the init of the class. The handle command now looks at token equality instead of command substrings. Parsing colors has been modified to a smaller code base. Promol: some small bug fixes in the motif maker that occur when unwanted spaces occur in the input fields, a fixed motif was added. A better way of updating motif files is needed when this is all distributed. Version changed to 3.6.2. Version 4.0 candidate 3.2 Revision 93 Modified Fri Jun 25 by vinnyrose Some small bug fixes. Version changed to 3.6.1. Version 4.0 candidate 3.1. Revision 92 Modified Tue Jun 22 by vinnyrose Some small bug fixes. Updated the motif finder to support batch processing. Motif maker has the capablity to change the order of the motifs being made. Several organizational changes such as folder names and locations. ChimeConverter is now active, and accessible with the 'c' command prefix. Pmw has been replace by tkinter functions in many places. Version changed to 3.06. Version 4.0 candidate 3. Revision 88 Modified Fri Jun 11 by vinnyrose Added all the motifs made so far. Created error reporting on motif loading. Changed welcome screen. All pdb's entered into motif maker will be lowercased. 4.0 release candidate 2. (3.05) Revision 87 Modified Thu Jun 10 by vinnyrose Several changes. The motif maker has some bug fixes, as well as the ability to check against homologs and random pdb's. The motif finder uses a levenshtein distance calculation and reports the minimum and maximum (min/max) edit distance found, if the min and max are the same it reports one distance. It searches into each chain individually and the whole structure. In addition it searches through every permutation of residues in cases where that is applicable. Version changed to 3.04. Version 4.0 candidate. Revision 86 Modified Mon Mar 22 by vinnyrose Residues are capital insensitive in motif maker, multiple ec numbers can be entered separated by a comma. The motifs are going through the last steps to transfer them to individual files. Revision 85 Modified Sun Mar 21 by vinnyrose Some small changes, and preparing the motifs to be separated into individual files Revision 83 Modified Wed Mar 17 by vinnyrose More changes to the motif maker. Revision 82 Modified Wed Mar 17 by vinnyrose Changes to ConSCRIPT to make it compatible with Linux. Many changes to ProMol. Changed motif maker to have it's own tab, and am still working on making it compatible with motif finder. Made changes to make it more compatible with linux and need to make more changes in that area. Changed the GUI in many areas. Deleted many motifs that don't seem to have a use right now. Revision 81 Modified Tue Feb 16 by vinnyrose Remove reference to batch motif. Revision 74 Modified Wed Feb 3 by vinnyrose Temporarily commented out some tabs. Revision 73 Modified Mon Feb 1 by vinnyrose Moved remote_pdb_load into the Promol_dir as well as make a few changes in the code. Made the motif finder faster. Revision 65 Modified Tue Jan 26 by vinnyrose Jess templates are done. Motif finder reworked. Random PDB finder is working again. Revision 63 Modified Thu Jan 7 by vinnyrose Hooking stuff onto the new organization. Most Motif related functions have been hooked on. Revision 62 Modified Thu Dec 24 by vinnyrose Made lots of organizational changes. Stable but with many bugs. Revision 60 Modified Tue Dec 15 by vinnyrose Made changes to the built-in motifs. No functionality changes, just making things prettier. Still unstable, latest stable in 57. Revision 59 Modified Mon Dec 14 by vinnyrose This revision is absolutely positively unstable, DO NOT USE IT! Removed unnecessary files and folders. Removed ProMOL_302. If you want the latest stable go to revision 57. Changed amino acid pictures names so that they are not confusing. Changes to ProMol.py include: separating the code into multiple files Optimizing the code standardizing the formatting This is the first commit in several to come that will dramatically change the code. The functionality in most cases will not be changed. Much of the indentation is not correct due an attempt to standardize. Indentations will be fixed in a future revision. Revision 58 Modified Mon Dec 14 by vinnyrose ~/Desktop/commit.rtf Revision 57 Modified Thu Jul 9 by vinnyrose the make motif function can now handle between 2 and 10 residue motifs and is much faster. The make motif window can now handle empty rows. Amino acid list are in alphabetical order. Trimmed white space at the end of lines. Made global list of amino acids three letter codes. And made global list of alphabetical letters. Revision 55 Modified Fri Jun 12 by vinnyrose Revisions made to makemotif fuction: This revision is able to build a motif for active sites that have repeating amino acids. The code has been commented so that it can be followed more easily and the motifs that are built now have a smaller file size. The while loops were improved and variable names were changed. -MROSA Revision 40 Modified Tue Jul 22 by yaya-hjb Correct spacing garbled on last upload -- HJB Revision 39 Modified Wed Jul 16 by yaya-hjb This update allows users to use commands that were once only available in ProMOL in the command line as well as scripts (as long as ProMOL itself is open). See ProMOL_README.txt. Mod by C. Wischmeyer. -- HJB Revision 36 Modified Wed Jun 25 by yaya-hjb Mods by Corey Wischmeyer introducing commands for ProMol ops See the sbevsl wiki on sourceforge for details. Revision 34 Added Wed Jun 11 by yaya-hjb Copied from: trunk/promol/ProMOL_302.py revision 33 Remove version from name of ProMol.py, update to 303 with batch motifier. Mods by Corey Wischmeyer. -- HJB
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