Hi, all I am a newer of xplor-nih, so I hope this is not a stupid question. I am trying to incorporate a MTSL into the structure of my protein. Luckily, I found xplor-nih had the topology file of the MTSL and also included a protocol in PSF_generation folder of xplor-nih-2.12 talking about how to incorporate it into protein. I test the demo, run addAtoms.py and it looks work pretty good. However, after I change the script with the sequence and pdb file of my protein, it shows the warning of "atom not found in structure" for every atom in pdb file. It seems that PDBTool in the Python file does not read my pdb file at all. Can anybody tell me why? Is that because of the format of pdb file? If yes, could you give me some hints about how to fix it?
Appreciate in advance bwu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://cake.cit.nih.gov/pipermail/xplor-nih/attachments/20060130/3ef62871/attachment.html
