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From: Kieron T. <kie...@un...> - 2011-01-14 15:45:23
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Hi, I'm struggling with Jmol 12 and the isosurface script command syntax: >> isosurface surface01 0.01 "nwchemtest/dplot.cube.gz" This works in Jmol 11.8, but gives me a syntax error in 12: script ERROR: invalid argument In fact, most of the offered isosurface syntaxes found in the user guide (ch4, isosurface section) seem to trigger errors for me. The only thing that I can get to work is a simple load command with no cut-off configuration like: >> isosurface "molecule.cube" Can anyone tell me what Jmol 12 is expecting from me? Also, when I generate these script errors, the reported problems seem to have erroneous values, e.g. >> isosurface 0.01 "dplot.cube.gz" >> script ERROR: invalid argument ---- >> isosurface >> 0.1 << "cube.gz" The numbers do not match! Yours in anticipation, Kieron |