[Tex/LaTex] Chemistry molecular structure drawing programs


I am looking for chemical molecular drawing packages.

There is mhchem which basically sets up a structure for including externally generated molecular structures.

Also Chemfig, which is the closest to a user friendly solution and uses pgf.

The vast majority of chemists would use ISISDraw or other program which has the advantage of being able to name the structure based on IUPAC rules. There is also the brookhaven Protein database which has a file format for large proteins.

My question is: Are there any packages that can convert ISISDraw (or similar molecular drawing packages) file formats to pgf or any packages that are closer to ISISDraw than Chemfig

Best Answer

The short answer is 'no' at the present time. Products such as ISISDraw/Accelrys Draw or ChemDraw produce binary files, which cannot be read directly by TeX. So any conversion would either require a separate tool or reading a text file format, such as ChemDraw's XML format.

By far the most popular file format for journal submission is ChemDraw's .cdx format, which is publicly documented. Thus perhaps the most sensible approach to creating a tool for the conversion would be to read .cdx files.

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