16 Feb
2009
16 Feb
'09
11:18 a.m.
Xia,Wei wrote: > It seems that the hydrogen names in Modeller results are HB1, HB2 > However IUPAC and many other software would use 'HB2 HB3' names. > Is there any options in Modeller that I can choose or any scripts to use to > convert the format?
Modeller generates output PDB files that are consistent with post-remediation PDB structures. If you still have software that expects pre-remediation PDB format, the easiest solution is probably to write a short script to convert the atom names in the output PDB files.
Ben Webb, Modeller Caretaker
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