On 06/16/2014 10:35 AM, Andreas Truszkowski wrote: > Dear Jmol-Team, > > I try to get into the scripting for PDB files containing biological > assemblies. Assuming the data consists of two models and each model > contains a chain "A" and a chain "B". How can I display e.g. from model > one chain "A" and from model two chain "B" using the "display" function. > > For one model without hydrogens the script looks like this: > display (*:A or *:B) and not hydrogen > But how when more than one model is involved and the chains have the > same names within the models? > For this you can use the 'file.model' syntax in atom expressions (see http://jena3d.fli-leibniz.de/doc/jmol_scripting/index.htm#atomexpressions). Assuming that both models are in the first file loaded, you could use this: display (1.1 and *:A) or (1.2 and *:B)
Or as a shortcut: display *:A/1.1 OR *:B/1.2 And if only one file is loaded even shorter: display *:A/1 OR *:B/2 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: [email protected] 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 ------------------------------------------------------------------------------ HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions Find What Matters Most in Your Big Data with HPCC Systems Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. Leverages Graph Analysis for Fast Processing & Easy Data Exploration http://p.sf.net/sfu/hpccsystems _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
