Doubt Regarding multiple X, Y, Z coordinates for same atoms
Respected Sir
DOUBT REGARDING MULTIPLE X,Y,Z COORDINATES FOR same ATOMS
During Modeling via automodel model-full.py script
Which coordinates are used while modeling in case multiple coordinates for same atom and residue at a position are mentioned in PDB file ?
On what basis are the coordinates for modeling selected if more than one coordinate set is present for same atom?
Thanks
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
participants (2)
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Modeller Caretaker -
Priya Chaudhary