Dear Paul tor. 24. dec. 2020 09.53 skrev Paul Emsley <pems...@mrc-lmb.cam.ac.uk>:
> > Done on a MacBook Pro with an i5, external mouse, and without the ligand. > > I have Oliver Clarke's scripts and the default keybindings. > > > > No prior knowledge version I guess? Except having used Coot for 10+ > years? > > "Prior knowledge" runs are allowed (expected, actually). It's OK to know > (and therefore avoid the use of the > validation tools or reading the tutorial to discover): > > The ligand is 3GP > The missing sequence is QTC and adds a disulfide bond > There are 2 sulfates (one more clear than the other) > Use Ctrl-D to delete residue 72 and "Add Terminal Residue" (Y) to replace > it I guessed EVC which was close enough, the sulfates I also put in, and the OXT's, I also added waters (guess that's obvious). For residue 72, I did basically what you suggested. For my second attempt I now knew more about the details, but had also done lost of it once already, so knew what changes to expect and the "optimized" run was Time 5:53 R/Rfree : 0.1691/0.199 Happy holidays Folmer ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
