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Addition of water selection documentation (#4881)
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* Update selections.rst

addition of water in simple selection with its description
added mention of all available resnames for water that are recognized

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Co-authored-by: Irfan Alibay <[email protected]>
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talagayev and IAlibay authored Jan 6, 2025
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Expand Up @@ -114,6 +114,15 @@ protein, backbone, nucleic, nucleicbackbone
is identfied by a hard-coded set of residue names so it may not
work for esoteric residues.

water
selects all atoms that belong to a set of water residues; water
is defined with a set of common water abbreviations present in
topology files and may not work with certain water residue names.
Currently the following water resnames are supported:
3 letter resnames: ``H2O``, ``HOH``, ``OH2``, ``HHO``, ``OHH``, ``TIP``,
``T3P``, ``T4P``, ``T5P``, ``SOL``, ``WAT``.
4 letter resnames: ``TIP2``, ``TIP3``, ``TIP4``.

segid *seg-name*
select by segid (as given in the topology), e.g. ``segid 4AKE`` or
``segid DMPC``
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