On 10/5/2019 10:34 AM, Maciek Wójcikowski wrote:
Paolo and Chris,
There actually is Rdkit function to do this very task: SplitMolByPDBChainId
Why, though? -- It's a punch-card format with chain id in specific
column, you just read the lines and sort them into buckets on line[X].
Unless you have NMR multi-model ones where you need to keep track of
model/endmdl
Dima
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