MOLDRAW: a program to display and manipulate molecular and crystalline structures
by Piero UGLIENGO University of Torino - Dipartimento Chimica. Via P. Giuria 7 -10125 Torino. ITALYMS Windows (Linux & Mac OS X) - http://www.moldraw.unito.it
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MOLDRAW exports to JMOL structures
MOLDRAW can prepare an HTML file named jmol_moldraw.html together with an associated structure file named jmol_moldraw_jmol.cif containing the structure present on the screen. Periodic boundary conditions are applied when treating polymers, slabs and bulk structures. In case of polymers and slabs the non periodic directions are set to 20 Angstrom to ensure the applicability of the periodic boundary conditions in JMOL.
These files are prepared with a specific JMOL installation on the local PC. These are the steps needed to install JMOL in a way enabling the correct visualization of the exported structure.
If the process is succesfull the web page should be like this:
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