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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: Programmatic conversion of crystal structures into 3D printable files using Jmol

Fig. 1

The Jmol3DP script can be used to batch process CIFs into 3D printable VRML files. The script was executed by creating a windows batch file, Jmol.bat (java -Xmx1024m -jar “JmolData.jar” -o  %1 %2 %3 %4 %5 %6 %7 %) and a text list of the crystal structure file names. Then the batch file was run from a DOS command line (Jmol –s Jmol3DP.spt). For extended solids, symmetry and packing was applied upon initial loading (i.e. edit line 5 of the script to read load @{alist[i]} {1 1 1} PACKED)

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