Thread: [apbs-users] does pdb2pqr recognize N and C term residues?
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From: Martin, E. W <Erik.Martin@STJUDE.ORG> - 2012-09-21 15:25:27
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I just noticed that my Nterm and Cterm residues weren't being named properly. I was wondering if there was an option in pdb2pqr that recognizes these residues or if the input pdb should have "N" or "C" attached to the beginning of the residue? Thanks, Erik ________________________________ Email Disclaimer: www.stjude.org/emaildisclaimer Consultation Disclaimer: www.stjude.org/consultationdisclaimer |
From: Baker, N. <Nat...@pn...> - 2012-09-21 15:46:51
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Hello -- There are many different possible naming schemes. Are all of the atoms present in the termini? Thanks, __________________________________________________ Nathan Baker Pacific Northwest National Laboratory Tel: +1-509-375-3997 http://nabaker.me -----Original Message----- From: Martin, Erik W [mailto:Erik.Martin@STJUDE.ORG] Sent: Friday, September 21, 2012 8:26 AM To: apb...@go... Cc: apb...@li... Subject: [apbs-users] does pdb2pqr recognize N and C term residues? I just noticed that my Nterm and Cterm residues weren't being named properly. I was wondering if there was an option in pdb2pqr that recognizes these residues or if the input pdb should have "N" or "C" attached to the beginning of the residue? Thanks, Erik ________________________________ Email Disclaimer: www.stjude.org/emaildisclaimer Consultation Disclaimer: www.stjude.org/consultationdisclaimer ------------------------------------------------------------------------------ Got visibility? Most devs has no idea what their production app looks like. Find out how fast your code is with AppDynamics Lite. http://ad.doubleclick.net/clk;262219671;13503038;y? http://info.appdynamics.com/FreeJavaPerformanceDownload.html _______________________________________________ apbs-users mailing list apb...@li... https://lists.sourceforge.net/lists/listinfo/apbs-users |