[Chimera-users] Local execution of pdb2pqr and APBS
Hurt, Darrell (NIH/NIAID) [E]
darrellh at niaid.nih.gov
Mon Dec 16 06:05:39 PST 2013
Hi Chimera friends,
Sorry to bother you again with so many questions.
I'm trying to use PDB2PQR and APBS in a script to calculate an EP map. I know how to specify a local executable location for these external applications if I use the graphics interface, but the documentation that I can find does not indicate how to do this via the command line. Is it possible? How do I do it?
Darrell Hurt, Ph.D.
Section Head, Computational Biology
Bioinformatics and Computational Biosciences Branch (BCBB)
31 Center Drive, Room 3B62B, MSC 2135
Bethesda, MD 20892-2135
Web: BCBB Home Page<http://www.niaid.nih.gov/about/organization/odoffices/omo/ocicb/Pages/bcbb.aspx#niaid_inlineNav_Anchor>
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