Hi,
I have improved residuegen to handle different situations of generating
residue topologies. Now respgen can generate prepi for normal
amino-acid-like or nucleic-acid-like residues, the termainl residues
(C-terminal, N-terminal, 3' and 5' nucleic acid residues), the organic
molecules (if you want to use multiple conformations and/or cap atoms and/or
predefined atomic charges), and amino-acid-like residues with side chains
being linked to other residues. Please let me know if you encounter some
trouble.
Attached are the latest version of residuegen.c and prepgen.c
Best
Junmei
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Received on Wed Aug 27 2008 - 06:07:48 PDT
