Hello, Everyone, I have a 4domain protein which has crystal structure known. After finishing the backbone assignment, I did RDC measurement. The initial fitting shows those 4 domains have different orientation than crystal structure.
So I want to do a rigid-body (core of 4 domains will keep as rigid body, just leave the linkage flexable) refinement against RDCs only. Then I will be able to tell the orientation difference from crystall structure. I tried to make my xplor inp file from the eginput/prot_prot of the xplor-nih distribution. The original scripts deal with two protein in one complex, but my protein is a single covalently connected entity. Althogh I tried really hard, the results were not good. Those domains are pushed away from each other. Does anyone have input file dealing with this problem? It will be really appreciated if you can share. Or should I post my script here, to look for help? Thanks a lot Yongbo -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20031029/9599c0a0/attachment.htm
