Re: [ccp4bb] build fragment library from pdb based on a specific geometry

hi Rui RCSB run a facility called Ligand-Expo (formerly Ligand-Depot.) You sketch a fragment of a ligand and it runs a graph search on the ligands in the PDB. http://ligand-expo.rcsb.org/ chiralities are not specified so it is perfect for your sugar query best wishes Pete Quoting rui

Re: [ccp4bb] MSE

Phil If MSE were described with ATOM cards then rasmol and other graphics programs would display it in a sensible manner. This would be contrary to wwPDB policy which is to make coordinates C++-friendly rather than human-useable. Pete Pete Artymiuk Quoting Phil Evans [EMAIL PROTECTED]: flame

[ccp4bb] Movie for Powerpoint in windows

hi Ibrahim To convert your .png files to .avi on a PC, try VideoMach at http://www.gromada.com/videomach.html You can try it for free for a limited period, but after that you may well think it is worth the 25 dollars or so... best wishes Pete - Forwarded message from Ibrahim M. Moustafa

[ccp4bb] A bit of history: John W Backus obit

A bit of history: NY Times obituary for John W. Backus, 82, developer of Fortran, without which CCP4 and much else would not have been possible. http://www.nytimes.com/2007/03/19/obituaries/20cnd-backus.html?ex=1332043200en=adde3ee5a1875330ei=5124partner=permalinkexprod=permalink Pete A --