Dear Crystallographers, I've been spending >10 hours trying (googling, manually editting cif files based on templates in Coot's library, asking around, rtfm and reading this bbs) to figure out why Coot the geometric restraints wouldn't load.
The molecule I have is difluoroacetate (and some analogs). I drew it in sketcher and tried regularized it using both the refmac from sketcher as well as the 'normal' refmac. From what I can tell, Coot can read this cif file without errors, but when it keeps telling me that it doesn't have the library descriptions when I try to do real space refinement. My system and programs: -Windows Vista 32 bit Home -Coot 0.5 as well as 0.6 -CCP4i 6.1.1 Out of desperation, I also tested this on Coot v0.1 which has worked for me before... and I was surprised that I can do real space refinement without problem. Could there be some settings that I've missed? Any insights would be greatly appreciated. Peter _________________________________________________________________ Stay in the loop and chat with friends, right from your inbox! http://go.microsoft.com/?linkid=9671354
