Hi, Kanika, The source code can be found at function ExecutiveSymExp() in the file ./trunk/pymol/layer3/Executive.c
Normally, a PDB is equivalent to an ASU (except for some cases like capsid). "Symexp is used to reconstruct neighboring ASUs." ( http://pymolwiki.org/index.php/Symexp ) It seems REMARK 290 that contains crystallographic symmetry transformations is used for computing the positions of neighboring ASUs. But be careful with some of the capsid cases (e.g. 3p0s). The symexp will not generate any neighboring molecules as they are not related by crystallographic symmetry, but non-crystallographic symmetry. BTW, it seems symexp has a bug when running on 3p0s. It does not return after displaying the message: "ExecutiveSymExp: Generating symmetry mates..." regards, hongbo On 03/22/2011 06:44 AM, kanika sharma wrote: > I used symexp command for 3QK9 using distance of 2.75 to generate > ASU(asymmetric unit). Does symexp generate these symmetry mates from the > remark290 of PDB file? I couldnot find the code for symexp in pymolwiki. > Can anyone help out? > > > > > Regards, > Kanika > > > > ------------------------------------------------------------------------------ > Enable your software for Intel(R) Active Management Technology to meet the > growing manageability and security demands of your customers. Businesses > are taking advantage of Intel(R) vPro (TM) technology - will your software > be a part of the solution? Download the Intel(R) Manageability Checker > today! http://p.sf.net/sfu/intel-dev2devmar > > > > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Hongbo ZHU Postdoctoral Researcher Structural Bioinformatics Technische Universität Dresden Biotechnology Center Tatzberg 47/49 01307 Dresden, Germany Tel: +49 (0) 351 463-40083 Fax: +49 (0) 351 463-40087 E-Mail: hongbo.zhu at biotec Webpage: www.biotec.tu-dresden.de ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
