Hi, we are looking into integrating freemol/pymol into Debian/Ubuntu now, this looks very promising.
On Thu, Sep 18, 2008 at 12:32:07PM -0700, DeLano Scientific wrote: > > This might be a good reason to start moving towards distribution of > > APBS and PDB2PQR with PyMOL! :) > > Indeed, along those lines, here is the plan: > > Starting with PyMOL 1.2, we will start distributing an accompanying > open-source compilation named FreeMOL, which includes several packages many > users would like to be able to call upon when using PyMOL. They are: > > (b) an MMFF forcefield & minimizer (mengine) for small molecule building and > peptide modeling. The upstream homepage (http://www.chembiogrid.org/cheminfo/smi23d/) seems to be missing/404 right now. Do you know whether this is a temporary problem or has the homepage been moved? > In each case, we are doing the upfront compilation, integration, and testing > to ensure that what ships actually interoperates reliably, on Mac, on > Windows, and on Linux. With this effort, I am determined that we will get > to a point where all this stuff "just works" together without major issues. I think the following would additionally make sense: 1. Provide links to the respective project homepages and/or exact download URLs for the code so people can reproduce the code. 2. Provide author/copyright information for the modules (e.g. mengine does not seem to have any attribution at all in the freemol svn except for mmff94.* and tabulator.h) 3. Provide the freemol patches relative to the original source code. Most of this is convenience, but I think it would add to the overall value of freemol. Michael ------------------------------------------------------------------------------ Enter the BlackBerry Developer Challenge This is your chance to win up to $100,000 in prizes! For a limited time, vendors submitting new applications to BlackBerry App World(TM) will have the opportunity to enter the BlackBerry Developer Challenge. See full prize details at: http://p.sf.net/sfu/Challenge _______________________________________________ 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
