Dear all, I want to use results from paramagnetic relaxation enhancement (PRE) as distance restraint to calculation structure ensemble of a denatured protein. Currently, I used "addAtoms.py" to have pdb and psf files of several cystein mutants with MTSL, I also prepared different input tables from results of different mutants.
I am confused about how to incorporate these mutants into one calculation. Can I have different mutants as input template and different tables correspond to them but during calculation these restraints can be used in other mutants? Thanks a lot! Regards, Jie-rong
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