Dear all: I'm a new user to Modeller. 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? Thanks!
Xia Wei
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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Modeller Caretaker -
Xia,Wei