I also got same error with some of PDB files I got today after refinement. I checked some of the files of same project it works there. I don't know the difference why its happening. I was trying to fix molprobity flags and refine them. Looking for suggestions Thanks Yogi ________________________________________ From: CCP4 bulletin board [[email protected]] On Behalf Of Julie Neubauer [[email protected]] Sent: Sunday, August 29, 2010 4:57 PM To: [email protected] Subject: [ccp4bb] error running reduce/probe in WinCoot
Hello, I'm trying to use the 'probe clashes' function in WinCoot. However, each time I try I get the following error message: Found 4580 hydrogens <0 hets> Standardized 6012 hydrogens <0 hets> Added 344 hydrogens <0 hets> Removed 0 hydrogens <0 hets> Adjusted 123 groups(s) If you publish work which uses reduce, please cite: Word, et al. (1999) J. Mol. Biol. 285, 1735-1747. For more information see http://kinemage.biochem.duke.edu BL WARNING:: reduce didn't run ok, so stop here! run_generic_script (probe, 0) I am aware that someone else had this problem and it was suggested that he solve it by changing which set of lines were commented out in the code. I have tried that, but found no difference when trying to run probe clashes afterward. Does anyone have any other suggestions? Thanks. Julie PCB, Duke University
