mass functions
Issue #21
resolved
Proposing some new functions which should be around the corner:
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aa2mass(pdb): takes input a pdb object, or a list of residue names. outputs residue mass.
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atom2mass(pdb): takes input a pdb object, or a list of atom names. outputs atom masses. add function grpby similar to function dm.xyz.
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nma(): in case of a non-standard residue type, it should be easier to add the residue mass.
Comments (2)
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reporter - changed status to resolved
done
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Nice!