Re: [apbs-users] scripts for input file generation
Biomolecular electrostatics software
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From: Baker, N. <Nat...@pn...> - 2012-09-09 01:47:31
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Hello – What scripting languages are you familiar with? This should be very easy to do any of several languages per Keith’s suggestion earlier today. Thanks, __________________________________________________ Nathan Baker Pacific Northwest National Laboratory Tel: +1-509-375-3997 http://nabaker.me<http://nabaker.me/> From: erik martin [mailto:del...@gm...] Sent: Friday, September 07, 2012 1:57 PM To: apb...@go... Subject: [apbs-users] scripts for input file generation Hi, I am looking to preform calculations on individual frames from a trajectory. I need to generate .pqr files and apbs input files. I was wondering if there were any example scripts floating around out there that do this? I can't possibly be the only one who has wanted to do such a thing! Thanks a lot, Erik |