Hello everybody, I'm currently working on a java project in which, after loading a pdb-file, I need to add Hydrogens to the molecules. Since Pymol has an implemented method for this problem, I'd be interested in the algorithm used, so I can reimplement it in java. Does anybody know if there is a publication, where I can find it? Another approach I am following is the usage of the CDK package, but I'm not really sure how to apply it to my problem and how good the method works. I'd be thankful for any help I can get ;).
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