I ran into two problems while testing the anneal.py script in eginput/protG:
1. I had trouble generating extended structure and got these message: anneal.py(42): protocol.genExtendedStructure("gb1_extended_%d.pdb" % seed) /Applications/darwin/xplor-nih-2.24/bin/xplor: line 469: 20033 Segmentation fault /Applications/darwin/xplor-nih-2.24/bin.Darwin_8_x86/xplor '-py' 'anneal.py' 2. If instead, I loaded a pdb, e.g. template_protG.pdb, then ran into this problem: anneal.chunyu.py(172): varTensorTools.topologySetup(dyn,oTensor) terminate called after throwing an instance of 'PyConvert_TypeError' /Applications/darwin/xplor-nih-2.24/bin/xplor: line 469: 20180 Abort trap /Applications/darwin/xplor-nih-2.24/bin.Darwin_8_x86/xplor '-py' 'anneal.chunyu.py' I am using a MacBook Pro, OS X version 10.6.2. Any suggestions or comments will be greatly appreciated. Chunyu *************************************************************** Chunyu Wang, MD, PhD Assistant Professor Biology Department Director, BCBP graduate program Rm 2229, Center for Biotechnology and Interdisciplinary Studies Rensselaer Polytechnic Institute 110 8th Street Troy, NY 12180-3590 Phone: 518-276-3497 Fax: 518-276-4207 email: wangc5 at rpi.edu http://www.rpi.edu/research/biotech/researchers/wang.html *************************************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20100123/703f53ec/attachment.html