you asked me to tell you where to put the code in order to translate the molecule inside the box or to put the center of gravity inside the box. I don't know exactly what you would like to have so it's beter to do it yourself.
However, I have made the modifications in the gui to include the new option (see the tab Crystal Box in Crystal Properties). So you only need to modify the line 391-407 (case CrystalBox:INBOX) in CrystalFile.java.
I have already put some code (the same as case CrystalBox:ORIGINAL) so that Jmol can compile and execute correclty. If you have problem, ask me!
Fabian
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-- Fabian Dortu <[EMAIL PROTECTED]> |
