-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi Tom, I agree that the first tool would be better. But I liked the spheres representation for having a quick idea of the symmetry-related molecules interacting. It's also extremely useful for pedagogical purposes. The proportionality between the number of contacts and the radii of the cylinders is such a clever idea! I will try to make a version where the maximum radius will be assigned to the maximum number of contacts so the differences are enhanced for crystals of proteins with a lot less contacts than proteins in virus capsides. I'll be waiting for that new tool, but I can understand it's not on the top of the list ;-) Thank you for your help! Best regards, Miguel En/na Thomas Goddard ha escrit:
Hi Miguel,
I agree that the term non-crystallographic symmetry (NCS) can be confusing. The crystal contacts Chimera tool was developed specifically for fixing the MTRIX records in virus entries in the PDB so the description uses terminology that makes sense for virus crystal structures.
I think the crystal contacts tool could be adapted so that the spheres represent individual PDB chains. This would be similar to your earlier request for a tool that just displays contacting chains. But I think the tool you described earlier would be better (only displays contacting chains from entire crystal, shows them as atomic models) and is just as easy to implement. Not sure if I will have time to work on it in coming weeks or months -- I haven't yet scheduled it into my long list of projects.
Tom
- -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 e-mail: molatwork@yahoo.es - ---------------------------------------------------------------------- Et ainsi ne pouvant faire que ce qui est juste fût fort, on a fait que ce qui est fort fût juste. Blaise Pascal, Pensées -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (Darwin) iD8DBQFFr+Z1F6oOrDvhbQIRAvQpAJ9oOUH/ZtAOIJcBFSd3NBrAkJhWOQCfQhLo WmGfaMv1g8owSPEK8TDmmiQ= =bzzR -----END PGP SIGNATURE-----