Questions tagged [software-online-tools]

Questions about software in the form of online tools or web apps: Basically software that can be run in a web browser without downloading anything.

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7 votes
3 answers

Print chemical formula from list of atoms in Python?

Lets consider the following code which uses the Mole object: ...
Nike Dattani's user avatar
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19 votes
7 answers

Convert XYZ coordinates to Z-matrix

I want to make a python script that will load an xyz file. From the xyz parameters, I need to find the distance between atoms, angle and dihedral between atoms. The file xyz have this structure: ...
Jose Pinto's user avatar