Author: moeller Date: 2011-07-30 00:30:20 +0000 (Sat, 30 Jul 2011) New Revision: 7349
Modified: trunk/packages/mgltools/autodocktools/trunk/debian/changelog trunk/packages/mgltools/autodocktools/trunk/debian/control trunk/packages/mgltools/autodocktools/trunk/debian/patches/series trunk/packages/mgltools/autodocktools/trunk/debian/rules trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml Log: Preparing for AutoLigand. Modified: trunk/packages/mgltools/autodocktools/trunk/debian/changelog =================================================================== --- trunk/packages/mgltools/autodocktools/trunk/debian/changelog 2011-07-29 10:16:52 UTC (rev 7348) +++ trunk/packages/mgltools/autodocktools/trunk/debian/changelog 2011-07-30 00:30:20 UTC (rev 7349) @@ -1,7 +1,8 @@ autodocktools (1.5.6~rc1+cvs.20110617-2) UNRELEASED; urgency=low * New upload (lp: #623984) - * Added recommends on mgltools-cadd. + * Added suggests on mgltools-cadd. + * Explicitly mentioning the tool AutoLigand. Further work needed. -- Steffen Moeller <[email protected]> Fri, 17 Jun 2011 01:20:14 +0200 Modified: trunk/packages/mgltools/autodocktools/trunk/debian/control =================================================================== --- trunk/packages/mgltools/autodocktools/trunk/debian/control 2011-07-29 10:16:52 UTC (rev 7348) +++ trunk/packages/mgltools/autodocktools/trunk/debian/control 2011-07-30 00:30:20 UTC (rev 7349) @@ -19,8 +19,8 @@ Architecture: all Depends: ${misc:Depends}, ${python:Depends}, mgltools-pmv, mgltools-molkit, mgltools-volume, mgltools-support, python-imaging-tk, mgltools-viewerframework -Recommends: mgltools-pyautodock, mgltools-utpackages, mgltools-cadd -Suggests: autodock, autodock-vina, ballview +Recommends: mgltools-pyautodock, mgltools-utpackages +Suggests: autodock, autodock-vina, ballview, mgltools-cadd Description: GUI to help set up, launch and analyze AutoDock dockings This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and @@ -31,3 +31,7 @@ bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses. + . + The tool AutoLigand, which may help to constrain the location of the + binding pocket for yet undescribed proteins, is accompanying the + main executable 'runAdt'. Modified: trunk/packages/mgltools/autodocktools/trunk/debian/patches/series =================================================================== --- trunk/packages/mgltools/autodocktools/trunk/debian/patches/series 2011-07-29 10:16:52 UTC (rev 7348) +++ trunk/packages/mgltools/autodocktools/trunk/debian/patches/series 2011-07-30 00:30:20 UTC (rev 7349) @@ -1 +1,2 @@ +missingShebankPythonTools.patch fix_python_path.patch Modified: trunk/packages/mgltools/autodocktools/trunk/debian/rules =================================================================== --- trunk/packages/mgltools/autodocktools/trunk/debian/rules 2011-07-29 10:16:52 UTC (rev 7348) +++ trunk/packages/mgltools/autodocktools/trunk/debian/rules 2011-07-30 00:30:20 UTC (rev 7349) @@ -16,7 +16,7 @@ find debian -name runAdt -exec chmod +x \{\} \; find debian -name adt -exec chmod +x \{\} \; # remove extra interpreter line - find debian -name runAdt -type f -exec sed -i 's?#!/usr/bin/env python2.4?#!/usr/bin/python?' \{\} \; + find debian \( -name runAdt -o AutoLigand.py \) -a -type f -exec sed -i 's?#!/usr/bin/env python2.4?#!/usr/bin/python?' \{\} \; find debian -name LICENSE -delete override_dh_clean: Modified: trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml =================================================================== --- trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml 2011-07-29 10:16:52 UTC (rev 7348) +++ trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml 2011-07-30 00:30:20 UTC (rev 7349) @@ -12,5 +12,13 @@ Pages: 2785-2791 Year: 2009 URL: http://www3.interscience.wiley.com/journal/122365050/abstract +Reference: + Author: Harris R, Olson AJ, Goodsell DS. + Title: Automated prediction of ligand-binding sites in proteins. + Journal: Proteins + Year: 2008 + Volume: 70 + Number: 4 + Pages: 1506-1517 Registration: http://autodock.scripps.edu/downloads/autodock-registration Watch: http://mgltools.scripps.edu/downloads/.*mgltools_source_([0-9.]+)\.tar\.gz _______________________________________________ debian-med-commit mailing list [email protected] http://lists.alioth.debian.org/cgi-bin/mailman/listinfo/debian-med-commit
