[ccp4bb] trim back to Cbeta in coot : summary

2008-03-14 Thread byron delabarre
(let ((resno-1 (string->number text-1)) (resno-2 (string->number text-2))) (if (and (number? resno-1) (number? resno-2)) (trim-sidechain-rang

[ccp4bb] coot extensions for residue mutation to Cbeta

2008-03-13 Thread byron delabarre
ains" (lambda () (molecule-chooser-gui "Save a selection from molecule: " (lambda (imol) (let ((cv (coot-version))) (if (stringnumber (start)) (string->number (end -- Byron DeLaBarre, Ph.D. Structural Biology Group Millennium Pharm

[ccp4bb] coot: Show Symmetry

2007-12-05 Thread byron delabarre
card is given with a 'shorthand' spacegroup notation. For instance, in CNS, spacegroup 'C2' is written 'C2' on the output file. Coot wants to see all axes defined, ie/ C 1 2 1. If it doesn't see the fuller notation, it gives a 'cryst1 problem' type error.

[ccp4bb] coot CNS maps and looking for blobs

2007-11-30 Thread byron delabarre
estions: 1) Should the unmodelled blobs function work if you simply read in a map (as opposed to auto-open mtz)? 2) Is this just a 0.4 prerelease problem? 3) Is the CNS map format to be blamed for not storing spacegroup info? Thanks - Byron -- Byron DeLaBarre, Ph.D. [EMAIL PROTECTED] Structural Biology Group Millennium Pharmaceuticals