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The study of the molecular structure of biological macromolecules and how that structure relates to their function.

3 votes
2 answers
829 views

JMol "calculate HBONDS": which atom is the donor/acceptor?

JMol can be used to identify Hydrogen bonds in proteins by the script "calculate HBONDS". By outputting the state of the network, we can obtain a lisdt of H-bonds. Here's one line from an example ou …
Douglas S. Stones's user avatar
16 votes
2 answers
494 views

Can two protein secondary structures "overlap" in the PDB?

I have a technical question regarding the syntax in Protein Data Bank files. In the protein with PDB# 1AE9 (pdb file), there are two lines in the .pdb file: HELIX 4 4 MET A 255 ILE A 265 1 …
Douglas S. Stones's user avatar