[ccp4bb] Calculating shape complementarity parameter using Sc

2008-10-23 Thread Jae Hyun
Dear All, I tried to calculate the shape complementarity parameter using Sc in CCP4. But, this gave me error message as follows: $TEXT:Warning: $$ comment $$ WARNING: No Space group given on PDB CRYST1 line $$ UNFORMATTEDSCRATCH file opened on unit 7 Logical name: SCTEMP, Filen

[ccp4bb] parameter and topology files in CNS

2007-06-25 Thread Jae Hyun
Dear all, I have a decavanadate anion in my structure, and want to refine it. For that, I got parameter and topology files from HIC-Up website, and used in CNS. But, it gave the error message as follows: Program version= 1.1 File version= 1.1 Torsion Topology> Torsion Topology> fix gr