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| Overview |
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| MolScript is a molecular graphics program that draws high quality static images of molecular structures, especially proteins. MolScript is operated using a command language rather than a graphical interface. Input consists of a PDB format molecule file and a user-written MolScript command file. Output possibilities include PostScript, Encapsulated PostScript, and a Raster3D command file. |
| Generating MolScript Command Files |
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| The command language is fully described in the on-line documentation (Per Kraulis, Uppsala Univ., Sweden).
MolScript command files can be written from scratch or adapted from sample files supplied with the program.
The simplest method for generating MolScript input is via RasMol. First input the PDB file to RasMol, then set the
desired viewing orientation using the mouse, and finally, create the corresponding MolScript command file by typing the following
RasMol command: write molscript {molscript_command_file} Color selections made in RasMol are not included in the resulting MolScript command file. |
| PostScript Output | ||||||
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| Run MolScript using the following command: molscript < {molscript_command_file} > {postscript_output_file} where "<" and ">" are Unix redirection commands. Examples of MolScript-generated PostScript drawings and their corresponding command files (scripts) are provided below:
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| Raster3D Command File Output | |
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| The combination of MolScript and Raster3D can produce extremely sophisticated, high resolution bitmap drawings. MolScript color specifications are automatically
included in the Raster3D input file. Raster3D drawings cannot be labled using MolScript instructions, but
the bitmap image produced by Raster3D can be annotated using Showcase. A Raster3D input file can be created by MolScript using the following command: molscript -r < {molscript_command_file} > {raster3D_command_file} where "<" and ">" are Unix input and output redirection commands. The Raster3D output file created by MolScript can then be used as a command file to run Raster3D's render program. An example of a drawing generated using the MolScript-Raster3D combination is given below:
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