Hello everyone, I was wondering what scripts are typically used when you are close to finishing the structure calculation. I am currently using refine.py and it outputs an ave.pdb file. I also have found a non-python script average.inpin analyze_sry folder in eginput of the xplor-nih main folder. I am looking for a protocol or method for determining the final set of structures when you are very close. Also, how many structures are typically done in the final structure calculation? 100? 200? Of that what percent is acceptable to submit as a final cluster 20%, 10%?
thanks in advance, Andrew Severin Graduate Student Iowa State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20071019/ad8e0ed3/attachment.html
