[EMAIL PROTECTED] wrote: > 1) checking for file read errors: > > jmol -ons cmd.spt >> log >
Thank You for this one!!! And half way on the road. There is a slight drawback with this solution. Each time my generated script contains an error, detected by Jmol, the execution stops with a compileError: --* console start *-- > sh jmol -ons /tmp/test.mol.spt using Smarter Model Adapter (C) 2006 Jmol Development Jmol Version 10.9.79 2006-10-16 00:38 java.vendor:Sun Microsystems Inc. java.version:1.5.0_06 os.name:Linux frame: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false setting color scheme to:jmol Executing script: /tmp/test.mol.spt FileManager opening /tmp/test.mol.spt compileError(cannot SET:zoom) --* console stop *-- I'm not really happy with this behavior and output. A "StopOnError=false"-option would be nice and some more information about the line/char also. That's why i prefer a plain java solution but right now i'm not familiar with the Jmol classes. Perhaps anyone can give me a hit, which methods are applicable or rather needed to implement a comparable test like "jmol -ons > log" where i'm able to adjust the desired error handling beside other individual settings. > > load filename.xyz > getproperty atominfo "all" > getproperty bondinfo "all" > > and then work it out from there. > Basically, the "getproperty" command should give you everything you want. Can You give me a hit where i can get further information about "getproperty"? I tried to grep the java sources but with no success. What other information are available in addition to "atominfo/bondinfo"? And what about other options than "all"? EJ -- Eike Jordan <[EMAIL PROTECTED]> | FIZ CHEMIE BERLIN | Franklin Str. 11 ------ ,__o | 10587 Berlin ------ _-\_<, | ------ (+)/'(+) | Tel. : 0049-30-39977 214 ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
