On 01/30/2015 04:30 PM, Robert Hanson wrote: > alt-loc should be fine; the entire group is being replaced, so there is no > problem with names. Can't help with the 400 -- even if you could do that, > you would not want to using Jmol, I think. Better tools for that. But for > small numbers, we could add mutations as alt-loc. Actually, that's a lot > easier that creating a whole new group. Way before 400 you will run into > the problem that the allowed number of bonds that link residues will be > exceeded (20? something like that). > One advantage of adding the mutated residues is that there are no such limits.
Bob, why do you think that Jmol wouldn't be suitable for doing 400 independent single residue mutations? If it is suitable for doing each of them individually, why shouldn't it be suitable for all of them consecutively (all done on the original structure)? Maybe performance could be a problem but we will have to see how performance will be after sidechain positioning optimizations have been added. And the two specialized programs we are using to precompute the mutations can also take several minutes for one PDB entry. Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: rhue...@fli-leibniz.de Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 230296, Amtsgericht Jena Tax Number: 162/141/08228 ------------------------------------------------------------------------------ Dive into the World of Parallel Programming. The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
