Dear PyMOLers, there is a new version of the plugin on the web (http://wwwuser.gwdg.de/~dseelig/adplugin.html).
It contains a bunch of new features, like: - setup and execution of complete docking runs - support for VINA (http://vina.scripps.edu), a great new Autodock spawn - viewing of Autodock grid maps in PyMOL - some lightweight virtual screening functionality So far it's only tested on Linux and by myself so I expect it to be somewhat buggy and unstable. Therefore please report bugs. Cheers, Daniel On Thursday 13 August 2009 22:36:14 Warren DeLano wrote: > Jed, > > With the 1.2 release of PyMOL, we have completely switched over to > Numpy. So the first thing to try is to replace: > > from Numeric import * > > # with > > from numpy import * > > Cheers, > Warren > > > -----Original Message----- > > From: Jed Goldstone [mailto:jedg...@mit.edu] > > Sent: Thursday, August 13, 2009 1:34 PM > > To: pymol-users@lists.sourceforge.net > > Subject: [PyMOL] pymol autodock plugin > > > > The autodock plugin written by Daniel Seeliger ceased to function > > (load) > > > when I upgraded to Pymol 1.2r1. > > Although it is not compatible directly with Autodock 4, it did have > > the > > > useful functionality of > > presenting an autodock 'box' that was readily tweakable, so that the > > parameters could be exported for > > Autodock Vina. I would LOVE to have this resurrected, but I don't know > > python - can anybody help with this? > > > > The specific failures I got were: > > > > File "C:\Program Files\PyMOL/modules\pmg_tk\startup\autodock.py", line > > 16, > > > in <module> > > from Numeric import * > > ImportError: No module named Numeric > > Error: unable to initialize plugin 'autodock'. > > > > > > Any help would be greatly appreciated. > > > > Jed > > ------------------------------------------------------------------------ > -- > > > ---- > > Jed Goldstone > > Research Specialist > > Woods Hole Oceanographic Institution > > Redfield 3-52 MS #32 > > Woods Hole, MA 02543 > > http://www.mit.edu/people/jedgold/home.html > > (508) 685-2253 (cell/home) (508) 289-4823 (work/WHOI) > > ------------------------------------------------------------------------ > -- > > > ---- > > Let Crystal Reports handle the reporting - Free Crystal Reports 2008 > > 30- > > > Day > > trial. Simplify your report design, integration and deployment - and > > focus > > > on > > what you do best, core application coding. Discover what's new with > > Crystal Reports now. http://p.sf.net/sfu/bobj-july > > _______________________________________________ > > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > > Archives: > > http://www.mail-archive.com/pymol-users@lists.sourceforge.net > > > > > > > --------------------------------------------------------------------------- >--- Let Crystal Reports handle the reporting - Free Crystal Reports 2008 > 30-Day trial. Simplify your report design, integration and deployment - and > focus on what you do best, core application coding. Discover what's new > with Crystal Reports now. http://p.sf.net/sfu/bobj-july > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Dr. Daniel Seeliger Computational Biomolecular Dynamics Group Max-Planck-Institute for Biophysical Chemistry Am Fassberg 11 37077 Goettingen, Germany Tel: +49 551 201 2310 Fax: +49 551 201 2302 email: dsee...@gwdg.de web: http://wwwuser.gwdg.de/~dseelig ------------------------------------------------------------------------------ Come build with us! The BlackBerry® Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9-12, 2009. Register now! http://p.sf.net/sfu/devconf _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
