Hello Mingxuan-- > > > I had to copy the toppar/ and database/ directories from 3.9 into 3.9.10 but > that was the only code-breaking trouble I had to go through. >
You should need no such action- this likely means that your install of 3.9.10 was incorrect. Please follow: https://bit.niddk.nih.gov/xplor-nih/INSTALL.txt > > > The ./runTalos.sh code doesn’t completely work, and still complains of missing > residues in chain B: > 401 shifts were read from NEF data. Correct- your version of runTalos only handles a single chain, or a homo-multimer. The version shipped with Xplor-NIH-3.10 should handle multiple chains. > > This is also not a huge issue as chain B is a short peptide so the TalosN > calculations might not be crucial. I magine two separate TalosN calcualtions > separately and merging the .tabs and .nefs might also resolve this, and I will > try this as a future work. When I tried it with your B-chain peptide I got only 3 dihedral restraints out of talos-N > > > For now, the phosphoserine is on the protein, but I will wait a day for the > whole code to finish on the cluster and update you on the progress. > Thank you. 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
