From: Rolf H. <rh...@fl...> - 2015-01-30 11:28:23
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On 01/28/2015 06:21 PM, Robert Hanson wrote: > The idea of a MUTATE command has been rattling around in my brain for a > while, and last night it hit me that we have all the pieces to do this > right -- structural comparison using Jmol bioSMARTS, flexible fit using > compare() and ROTATE BRANCH, atom alignment using COMPARE...ROTATE > TRANSLATE, easy ways to reconfigure bonds with CONNECT, and a very > serviceable MINIMIZE command. A few added tweaks, and nine hours work, and > what do you know? Jmol has a new command today! > > Do try it out! > > Bob > > http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.12_2015.01.28.zip > When I try to run this Jmol version within the 'Jena3D Viewer' the HTML5 version freezes almost completely without error message (http://jenalib.fli-leibniz.de/cgi-bin/3d_mapping.pl?CODE=1deh&APPLET=html5&JMOLVERSION=14.3.12_2015.01.28) and the Java version (http://jenalib.fli-leibniz.de/cgi-bin/3d_mapping.pl?CODE=1deh&APPLET=java&JMOLVERSION=14.3.12_2015.01.28) using 'IcedTea Java' doesn't freeze but stops in the middle of the initializing script with the following error message: script ERROR: java.lang.NoSuchMethodError: org.jmol.script.SV.oValue(Lorg/jmol/script/SV;)Ljava/lang/Object; I could identify the following commands from the initializing script that result in the same error message: ca2 = {1:A.CA/1}.xyz + {1:A.CA/1}.xyz - {2:A.CA/1}.xyz; draw boundary_1_A PLANE PERP 180 @ca2 (1:A.CA/1) translucent 0.2 red; Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: rh...@fl... Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 230296, Amtsgericht Jena Tax Number: 162/141/08228 |