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Pdb reformat names mode

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Revision as of 02:16, 28 March 2014 by Pyadmin (talk | contribs) (1 revision)
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pdb_reformat_names_mode sets atom naming for PDB files as it reads them.

Usage

# example usage, set to amber compliant

set pdb_reformat_names_mode, 2

Modes:

0

default, off

1

PDB compliant, (eg. HH12 becomes 2HH1, etc.)

2

amber compliant, amber compliant (eg., 2HH1 becomes HH12)

3

pdb compliant, but use IUPAC within PyMOL