[Feature-dev] [ feature-Features-1248 ] PDB file preprocessing

noreply at simtk.org noreply at simtk.org
Tue Jul 13 16:01:15 PDT 2010


Features item #1248, was opened at 2010-07-13 23:01
You can respond by visiting: 
https://simtk.org/tracker/?func=detail&atid=148&aid=1248&group_id=16

Category: None
Group: None
Status: Open
Resolution: None
Priority: 3
Submitted By: Grace Tang (gwtang)
Assigned to: Nobody (None)
Summary: PDB file preprocessing

Initial Comment:
There is a lot of variation between PDB files.  It may be helpful to include an initial preprocessing step that

1. Removes all Hydrogen atoms
2. Splits multi-model files into individual PDB files for analysis

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