Hi,
I tried using eginput/gb1_rdc/aveStruct.py with a set of pdb files which contained spin labeled residues. This did not work because the spin labeled residues (CYSP) were not recognized. I then added eginput/PSF_generation/cysp.par to toppar/protein-1.0.par and added eginput/PSF_generation/cysp.top to toppar/protein-1.0.top and added CYSP to the residueTypes['prot'] line of python/psfGen.py. Subsequently aveStruct.py seemed to work properly. Are any other modifications required for proper function of aveStruct.py with spin labeled proteins? Jeff Ellena -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20090204/f4d736d0/attachment.html
