Hi, I would like to convert three x-ray files of organometallic compounds (cif files) to 2D structures (like the ones we draw in ChemDraw). Is there a software to do that? It is hard to represent complex organocesium compounds with 9 bonds and big organic ligands. Thanks in advance
In theory, OpenBabel can do it:
http://openbabel.org/docs/dev/FileFormats/Overview.html
I have never tried, but, if I understand it correctly, OpenBabel would allow you to convert from CIF to CDXML (but not to CDX, that is a read-only format in the current version of the program).
In addition, OpenBabel can convert it to SVG, which can then be edited with BKChem.
GChemPaint and XDrawChem both claim they can read and write CDX binary files...
The latter is also supposed to import CIF files.
You may try Mercury software. This will provide you isolated molecule from .cif file.
There are many softwares to do them. If you have licensed SHELX you may use shelx xp. Though it is very old and command based software, it is still most preferred by crystallographers. There are free softwares like Mercury, ortep etc. You may use diamond as well trial version of which you may download for free.
Thank you so much, I tried saving the cif file from Mercury to mol file and then after opening it with chemdraw it work perfectly, after a few edits the molecule looks great. I appreciate your help
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