[Ifeffit] Atoms restraints
Massimiliano Stola
ifeffit at millenia.cars.aps.anl.gov
Fri Jun 25 05:04:21 CDT 2004
Hi,
I'm a new user of the Feffit package and I have a question about atom
restraints for the fitting.
I'm dealing with metal binding protein, and somehow I need to keep some atoms
in a fixed structure (mainly histidine rings) while leaving a certain degree
of freedom to the remaining atoms of the environment.
I'd like to know if there is a library containing histidine structure
restraints or if exists any input file of a similar matter.
Looking forward to hearing from you
Max
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