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How to select minus (-) residue number #2021

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locitran opened this issue Dec 25, 2024 · 1 comment

locitran commented Dec 25, 2024 •

edited

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pdb = pd.parsePDB('2HHN', subset='calpha')
pdb.select('chain A and resid -1 and resname ARG')

Error

UFuncTypeError: Cannot cast ufunc 'subtract' output from dtype('float64') to dtype('int64') with casting rule 'same_kind'

pdb['A'].getAtomGroup().getResnums()
# array([ -2,  -1,   0,   1,   2,   3,   4,   5,   6,   7,   8,   9,  10, ... ])

It seems the selection method cannot take the negative value. Is there any alternative method to do so?
Thanks

Contributor

jamesmkrieger commented Dec 25, 2024

I think there was a way to do this but I will need to check it again

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