Hens wrote: > The same holds for a pmesh plane, for instance a mirror plane, which I'd > like to extend beyond the atoms that define it. > I experimented with a script that, given the coordinates of three atoms > (or center between two atoms), calculates the points where this plane > intersects the boundbox axes, plus or minus a margin value. > It works, but it requires some post-processing by hand, because in the > pmesh definition the order of the points matters.
Yes, the points must run consistently in the same direction. Think of taking a pencil and drawing from one point to the next without raising the pencil from the paper. > I didn't start > thinking how a script could solve that. > And sometimes one gets five points, the pmesh definition doesn't seem to > accept more than four though. > (Does anyone know, is that a real limitation?) Currently, the pmesh code only supports triangles and quadrilaterals. I did not see any reason to support polygons any bigger than that ... I even hesitated before putting in quadrilateral support. You are defining a plane ... Three non-colinear points are sufficient. Q: Why do you want to have 5 points? Miguel > Example: > http://cheminf.cmbi.ru.nl/wetche/organic/stereo/mjones/ringsj.html > Click on compounds A and B plane links. > > Regards, > > Hens > > > > > > > ------------------------------------------------------- > SF.Net email is Sponsored by the Better Software Conference & EXPO > September 19-22, 2005 * San Francisco, CA * Development Lifecycle > Practices > Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA > Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -------------------------------------------------- Michael T. Howard [EMAIL PROTECTED] 23 Algonquin Avenue tele 978-474-4559 Andover, MA 01810-5527 cell 978-886-3697 USA fax 978-662-3126 -------------------------------------------------- ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
