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Re: [modeller_usage] Doubt Regarding multiple X, Y, Z coordinates for same atoms
- To: Priya Chaudhary <>
- Subject: Re: [modeller_usage] Doubt Regarding multiple X, Y, Z coordinates for same atoms
- From: Modeller Caretaker <>
- Date: Fri, 24 May 2013 11:19:34 -0700
- Cc:
On 05/24/2013 12:57 AM, Priya Chaudhary wrote:
Which coordinates are used while modeling in case multiple coordinates
for same atom and residue at a position are mentioned in PDB file ?
The easiest way to answer this question is to run it and see. Look in
the .ini file that's generated.
On what basis are the coordinates for modeling selected if more than one
coordinate set is present for same atom?
The default generation method uses transfer_xyz(), which will take the
average in this case.
Ben Webb, Modeller Caretaker
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