Hi Pat, There is not a command equivalent for the multi-scale dialog. The unit cell dialog in the latest Chimera daily builds can make multiple unit cells (Number of Cells field under Options), but again it has no equivalent command. I have enhanced the "sym" command so that you can specify various symmetry groups for making copies, and intend that this command to do the job of multi-scale and unit cell. It handles some symmetries in current daily builds (cyclic, dihedral, helical, icoshahedral) but not yet unit cell symmetries. I can add that if you like. The "crystalcontacts" command can place all copies of your asymmetric unit that contact the original asymmetric unit. If that is what you need the command would look like cryst #0 5 copies true which would open copies of #0 related by crystal symmetry that have atom-to-atom contact distances less than 5 Angstroms to #0. It also makes a kind of crazy diagram showing balls representing neighboring asymmetric units which you can close. This command was for the PDB to check entries for bad steric clashes. Tom -------- Original Message -------- Subject: [Chimera-users] python scripting for multiscale model From: Pat Weinkam To: chimera-users Date: 10/2/09 12:42 PM
Hi,
I am a new postdoc with Andrej Sali. I am looking to use the multiscale model tool to recreate a 3x3x3 set of unit cells around my pdb file. I can use the GUI to do this just fine but I would like to incorporate this into a python script. Is such a thing available? It would be greatly appreciated.
Thanks!
Pat