[phenixbb] explicit pdb output file name (refine)
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Wed Jan 20 21:44:00 PST 2010
> Do I understand correctly that there is no way to force refine to skip
> the serial in the output pdb file name, i.e. foo.pdb, not foo_001.pdb?
Yes, that's true.
The main reason is that the same run writes
When I implemented this I thought the serial numbers are the only
practical way to keep things straight.
Later we added storage of refined f' and f" to the .def file (since
there is no place in the .pdb file that would survive passes through
external programs). Because of this the serial numbers seem even more
important to me.
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