Egon Willighagen wrote: > > What do you want to validate? For reasonable bond lengths? That is, the sort > of things WHAT_CHECK/_IF does?
You're right. I had to be more specific. Reasonable bond lengths is one of the criteria. But first of all i'm interested in more primitive information: 1. is the JmolApplet able to load a given molecule? And if so, 2. what information are available from the Resolver about the input? Right now i managed to create a list of all relevant "files" and did some manual spot tests by generating HTML pages (driven from cocoon :-P) where both rendering methods are displayed alongside (Chime/left, JmolApplet/right). In several cases the java console gives quite detailed information of what is going wrong with a structure or script statement. Now, my batch test should do this with all affected files where those logging information went to a crude logfile for further analysis. Is it "org.jmol.adapter.smarter.Resolver" who do the job? > > An option here would be to use the CDK which has a validation engine, which > already does a number of checks, and is easily extended. It could be combined > with Jmol in Bioclipse, to visualize problems and errors. Thanks, i'll take a look at this. Do You know if Bioclipse has batch job capabilities? 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
