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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080311/5d858a12/attachment.html
