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author | Norbert Preining <norbert@preining.info> | 2019-09-02 13:46:59 +0900 |
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committer | Norbert Preining <norbert@preining.info> | 2019-09-02 13:46:59 +0900 |
commit | e0c6872cf40896c7be36b11dcc744620f10adf1d (patch) | |
tree | 60335e10d2f4354b0674ec22d7b53f0f8abee672 /graphics/mol2chemfig/README |
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diff --git a/graphics/mol2chemfig/README b/graphics/mol2chemfig/README new file mode 100644 index 0000000000..852ee5f125 --- /dev/null +++ b/graphics/mol2chemfig/README @@ -0,0 +1,74 @@ +mol2chemfig 1.4 +--------------- + +mol2chemfig is a Python program to convert chemical structures +from MDL molfile format or SMILES format to the TeX format defined +by the chemfig package. Its home page is at + +http://chimpsky.uwaterloo.ca/mol2chemfig/ + +This folder contains all available files for installing mol2chemfig +on your computer. + + +Licence +------- + +Free (LaTeX Project Licence, see http://www.latex-project.org/lppl/) + + +Requirements +------------ + +mol2chemfig needs a working Python version 2.x install. +At the time of this writing, the most recent Python 2.x version is +Python 2.7. The program should also work with other recent 2.x versions, +however. + +In addition, mol2chemfig requires indigo toolkit for Python. The installation +procedures of these prerequisites vary with your platform; in Linux, +your package manager will likely be able to satisfy all requirements. +Otherwise, visit python.org for Python and ggasoftware.com for indigo. + +To compile the code generated by mol2chemfig as part of a LaTeX document, +you need both the chemfig package and the mol2chemfig.sty package that +is included with this download (within the latex directory). + + +Installation +------------ + +Once you have the prerequisites installed and working, open a shell +window and enter + +cd install +python setup.py install + +you will likely need administrator privileges for this to work. +After that, you should be able to run + +mol2chemfig + +If this fails, you need to update your PATH environmental variable +to include Python's default script directory. + +If installation fails, do NOT contact me - there are a myriad possible +reasons, and most likely I can not figure them out from the other side +of the world. Instead, go buy a beer for your resident +Mac/Windows/Linux/WhatEver guru. + + +Usage +----- + +The 'latex' folder contains a sample document with several included +mol2chemfig-generated chemfig code files. It also contains the +mol2chemfig.sty LaTeX package that is required to compile any +documents using mol2chemfig-generated chemfig code, including +code generated through the mol2chemfig web interface. + + +Bugs? +----- + +Thought so. Please send bug reports to mpalmer@uwaterloo.ca.
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