Kazem, On Fri, Jun 20, 2014 at 8:37 AM, Kazem Sepehrinia <[email protected]> wrote: > I have made a silica nanoparticle using Materials Studio and I want to > modify surface chemistry of it, I want to remove unwanted groups from the > surface and create some new groups on the surface of nanoparticle in manner > that matches with experimental data.
Do you have a file people can play with? As said in another reply, I guess with some scripting it should be doable... Egon -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ------------------------------------------------------------------------------ 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
