Feature Requests item #2962639, was opened at 2010-03-03 14:21 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2962639&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None Status: Open Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: Connect atoms according to sum of radii Initial Comment: Jmol has internal criteria based on atomic radii for auto-connecting atoms (bonds). bondTolerance and minBondDistance allow some modification, and specific distance ranges can also be specified. But it would be good to be able to specify a fractional range eg 0.8 to 1.2 of the sum of the pairs of atomic or ionic radii, perhaps connect 0.8 1.2 ionic (~cations) (~anions); connect 0.8 1.2 atomic (~cations) (~anions); where "ionic" means use ionic radii, and "atomic" use atomic radii. The use of ionic radii is essential for most inorganic structures. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2962639&group_id=23629 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
