Thread: [Apbs-users] Minimum PQR requierments
Biomolecular electrostatics software
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From: Chari, R. <rav...@uc...> - 2008-05-05 19:12:46
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I just wanted to be sure about what pieces of information APBS needs to do its processing. From the manual about XML inputs, it implies that only the XYZ coordinates, charge, and radius are needed. Everything else like residue, atom name, atom number, chain ID, residue number, etc. are only there for the user to keep track of things. Is this the situation? Thank you. |
From: Nathan B. <ba...@cc...> - 2008-05-05 23:44:47
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Hello -- Yes, your summary is correct. Thanks, Nathan On May 5, 2008, at 2:12 PM, Chari, Ravi wrote: > I just wanted to be sure about what pieces of information APBS needs > to do its processing. From the manual about XML inputs, it implies > that only the XYZ coordinates, charge, and radius are needed. > > Everything else like residue, atom name, atom number, chain ID, > residue number, etc. are only there for the user to keep track of > things. > > Is this the situation? Thank you. > > ------------------------------------------------------------------------- > This SF.net email is sponsored by the 2008 JavaOne(SM) Conference > Don't miss this year's exciting event. There's still time to save > $100. > Use priority code J8TL2D2. > http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone > _______________________________________________ > apbs-users mailing list > apb...@li... > https://lists.sourceforge.net/lists/listinfo/apbs-users -- Associate Professor, Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology, Washington University in St. Louis Web: http://cholla.wustl.edu/ |