On 04/20/2015 03:44 PM, Robert Hanson wrote: > how unusual! I will look into it. Definitely a bug. I can't imagine why it > is doing that.... > It looks like I should have been more precise in my description.
The mmCIF data were actually loaded from a variable and not from a file. This is the case because it was generated on the fly within Jmol. In the documentation I couldn't find the syntax describing how to save a variable into a file, so I couldn't test it. But now I have found it again (misplaced as command '141.12' right before the index) and tried to load the saved data actually from a file and the chain ids seem to be loaded correctly now. There is also another difference: Loaded from a variable no bonds encoded in the mmCIF were loaded (setting: set autobond off). Loaded from a file bonds are loaded. But there seems to be a limit to load 21 bonds per atom (similarly to the problem with PDB files that was solved a few months ago). I first thought that there might be a syntax problem with the bond descriptions in the mmCIF data. But now it looks like it is rather a problem with loading from a variable. ---- mmCIF bond columns --------------- loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_atom_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_atom_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id 1 covale 1 U UNK_UNK 1 1 U UNK_UNK 2 2 covale 2 U UNK_UNK 249 2 U UNK_UNK 250 3 covale 1 U UNK_UNK 3 1 U UNK_UNK 2 --------------------------------------- The residue names are not supposed to mean anything. Just testing here for longer residue names with underscore. 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 ------------------------------------------------------------------------------ BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT Develop your own process in accordance with the BPMN 2 standard Learn Process modeling best practices with Bonita BPM through live exercises http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_ source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
