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Announcing a Julia module for reading CIF/mmCIF files and DDLmdictionaries

  • Subject: Announcing a Julia module for reading CIF/mmCIF files and DDLmdictionaries
  • From: James Hester <jamesrhester@xxxxxxxxx>
  • Date: Tue, 5 Mar 2019 17:54:14 +1100
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Dear All,

In case any of you are interested, I have put together a Julia (https://julialang.org) module for reading CIF1/CIF2 files and DDLm dictionaries.  The code is at https://github.com/jamesrhester/CrystalInfoFramework.jl and should install using the usual Julia tools (i.e. at the pkg> prompt type 'add https://github.com/jamesrhester/CrystalInfoFramework.jl').  The code is in an early state so some method names and type names may change.  It is most suitable at this point for messing around with CIF/mmCIF files in scripts, Jupyter notebooks and so on. A companion package that transforms dREL into executable Julia code will also be released shortly.

The module requires that the CIFAPI (https://github.com/COMCIFS/cif_api)  is installed on your system in the usual place that you install shared libraries, as CIFAPI is used for parsing.

This is my first Julia project so any pointers from experienced Julia programmers would be welcome, just raise an issue in the Github repository.

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