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Phenix: Difference between revisions
→Atom selection
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sel = "chain A and resseq 123 and resname LIG and name C1 and altloc A" | sel = "chain A and resseq 123 and resname LIG and name C1 and altloc A" | ||
where "resseq 123" and "resname LIG" are probably redundant. | where "resseq 123" and "resname LIG" are probably redundant. | ||
Yet another example: | |||
sel = "altloc A or altloc ' ' or element H" | |||
would select hydrogens of the only (or first, if there are several) alternate conformation of each residue. | |||
=== Switching off specific interactions === | === Switching off specific interactions === | ||