Hi again Uthama-- > > I am trying to model a homodimer complex from monomer using DEER > distance constraints. My literature search led me to your paper― > “Schmidt T, Schwieters CD, Clore GM. Proc Natl Acad Sci U S > A. 2019;116(36):1780”― which has been extremely useful in getting > some insigths on modeling with Xplor. I am new to Xplor-NIH, so it > would be helpful to have more details about the scripts and modeling > protocol that has been followed for this work which could serve as a > template to model my protein.
What I have pulled together so far is here: https://nmr.cit.nih.gov/out/epr-20200828.tar.gz Included is a refinement script for the hetero dimer, along with input files. The input PDB is actually symmetric, and the RNAase domain on the B chain is deleted after loading. Here is also a script which converts a MMM-generated PDB (containing tag atoms in R1A residues) to PDB and PSF input appropriate for Xplor-NIH (where the name of the tagged residues is CYSP). There is not much in the way of commenting or documentation, aside from the paper- I need to work a bit on this. So you'll have questions- they are welcome. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
