Re: [ccp4bb] molprobity in coot: BL WARNING:: reduce didnt run ok, so stop here!

2010-04-08 Thread Bernhard C. Lohkamp
Hello Rongjin Guan, your problem most likely comes from different pdb version formats. The files which work are probably pre pdb v. 3.0. Although (Win)Coot is mainly v. 3 compliant here we are not (really (*)). A fix (at least for the files which are not working) may be to change two lines (1

[ccp4bb] molprobity in coot: BL WARNING:: reduce didnt run ok, so stop here!

2010-04-07 Thread Rongjin Guan
Hello, I just installed Wincoot 0.6.1 and reduce/probe as well, and tested with several PDB files for probe/clash validation. For some PDBs it worked perfectly; but for my own model, it did not work and I have the following message: . Found 0 hydrogens (0 hets) S