Hi, definitely Yes, for I recently attempted successfully doing it there are scripts - pairRMSD.py and targetRMSD.py under eginput/gb1_rdc/ of the xplor-nih distribution (the db files, not the binary) which can be used for this as well as modified accordingly for the requirement.
IF, there are more materials/tutorials in helping a beginner towards understanding the 'language' used by xplor-nih, it will be really helpful. For that matter, some PPTs or PDFs explaining **more** the code like in Dr.Scwieters' 2006 Xplor-NIH paper (even those listings, if elaborated more,can be further appreciated ! ) It's very hard, as a beginner to grasp the meanings/implications of the very many capabilities of the System, even though many Example scripts are provided. If there is more guidance in terms of explaining the overall System and the specific language and the meaning of some terms used, it will be great for a Beginner. (For example, what is a protocol, a simulation, simObject, protocol.simulation,xplor.simulation, atomPosArr, etc., etc., - eventhough the names themselves convey a lot, it doesn't make one understand the System ) etc., Any **ppts, pdfs, learning materials, inputs ** will be highly appreciated. Also, how to calculate the Radius of Gyration (of a given PDB &/or a structure generated by Xplor) Thanks in Advance. Sanaz Dovell <srahmank at fau.edu> wrote: Is there a way to calculate the pairwise RMSD over a selected set of residues (over defined regions)? Thanks. _______________________________________________ Xplor-nih mailing list Xplor-nih at nmr.cit.nih.gov http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080411/dd19edf0/attachment.html
