--- Nicholas Noinaj
if all else fails, have you tried getting parameters for your ligand from the PRODRG Server and using that for inputing the ligand parameters into phenix.refine directly when you setup the refinement job? (I think i have done this before???) here is the website in case you aren't familiar... http://davapc1.bioch.dundee.ac.uk/programs/prodrg/
The message was not directed to me, but as PRODRG was cited, I'd like to comment on that. I have been using the PRODRG server to generate parameters for my ligands for some time. When I use the CIF file on refmac it works perfectly. However, if I use the same file on phenix.refine the ligand becomes very distorted. I could do all protein refinement on phenix.refine and then run some cycles of refinement on refmac to do ligand refinement, but I'd really like to do all the refinement in phenix, which, for my cases, seems to produce much better results than refmac. Does anybody faced a problem like this? If so, did you succeeded in correcting it? Lucas Bleicher __________________________________________________ Fale com seus amigos de graça com o novo Yahoo! Messenger http://br.messenger.yahoo.com/