Dear Bob, Some time ago we addressed the issue of writing transformed coordinates in MOL format, either using write command or write() function. I think it was fixed in some 14.1.x version, but right now I am finding that zz = write("coord") zz = write("coord", "t.mol")
are delivering the original coordinates and not the transformed coordinates. The command, write coord "t.mol" does save a file with the correct transformed coordinates. I've tested this on 14.2.0, 14.0.17, 14.1.16 Has the bug reappeared? ------------------------------------------------------------------------------ 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-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers