Hi Tim, thanks for the help. i think coot only does it when the last ligand of the last chain is the same type as the one you are merging. i'm just updated to 4834 and i'm running it on centos 6.4 64. I downloaded 4EWZ (random pick from PDB), added a single CL1 molecule and coot adds it with a new chain ID. however when i add a second CL1 molecule (i renumbered it to 12 before merging) coot adds it to the new chain with residue number 2. if i than add CLA, which is the same ligand with a different name, coot creates a new chain ID for it. overall, its a nice feature to have but i would like to disable it from time to time.
Best, Yuval. Yuval Mazor Dept. of Molecular Microbiology & Biotechnology, Green Building, Room 111. Tel Aviv University, Ramat Aviv 69978, Israel. Phone: 972-3-640-7507 E-mail: mazor...@post.tau.ac.il On Monday, December 2, 2013 5:04 PM, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Yuval, I cannot reproduce this behaviour: When I open a PDB with three chains, get the monomer "MPD" and merge it with the PDB, coot puts the MPD molecue into the new chain D. This refers to Version 0.8-pre, both revisions 4814 and 4834). Could you describe the steps to reproduce this error and maybe provide the revision / operating system? Best, Tim On 12/02/2013 10:59 AM, Yuval Mazor wrote: > Dear all, > > is there a way to control how ligands are treated after merging ? > in previous versions of coot the rule seem to have been that once > you merged into a molecule, a new chain id is created and residue > numbers are preserved. after i upgraded to version 0.8-pre i > noticed that when merged, new ligands are given the chain ID of the > last chain and a running residue number. is there a way to control > this feature, i have many ligands and it is important for me to > preserve their numbers after merging. > > Yuval. > > Yuval Mazor Dept. of Molecular Microbiology & Biotechnology, Green > Building, Room 111. Tel Aviv University, Ramat Aviv 69978, Israel. > Phone: 972-3-640-7507 E-mail: mazor...@post.tau.ac.il > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFSnKEoUxlJ7aRr7hoRAor3AKCYp9sST8/iofzUS+grluyEdCPZogCgoo6G pd1bq+cSu/x1Q6RQAzxvpeg= =BJ2C -----END PGP SIGNATURE-----
