2
votes
3answers
64 views
Harvesting the DOI for a collection of articles
This is (not) specifically related to chemistry or open source, but I don't know where to look.
I have a number of articles (a couple of hunderd) in a bibtex file, and some of the …
3
votes
4answers
147 views
How do I automate the generation of 3D images of molecules?
Suppose I'm in the business of visualizing hundreds of molecules for a PDF file or web page. How can go about it in an automated way? The ideal, of course, is a short command-line …
1
vote
3answers
64 views
Easiest way to align two molecules from the command line?
I have two files (XYZ, for example) that contain one molecule each. My task is to align these two molecules, with respect to the RMS distance between their atoms or some other rele …
