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talagayevIAlibay
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Addition of water selection documentation (#4881)
* Update selections.rst addition of water in simple selection with its description added mention of all available resnames for water that are recognized --------- Co-authored-by: Irfan Alibay <[email protected]>
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package/doc/sphinx/source/documentation_pages/selections.rst

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@@ -114,6 +114,15 @@ protein, backbone, nucleic, nucleicbackbone
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is identfied by a hard-coded set of residue names so it may not
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work for esoteric residues.
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water
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selects all atoms that belong to a set of water residues; water
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is defined with a set of common water abbreviations present in
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topology files and may not work with certain water residue names.
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Currently the following water resnames are supported:
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3 letter resnames: ``H2O``, ``HOH``, ``OH2``, ``HHO``, ``OHH``, ``TIP``,
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``T3P``, ``T4P``, ``T5P``, ``SOL``, ``WAT``.
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4 letter resnames: ``TIP2``, ``TIP3``, ``TIP4``.
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segid *seg-name*
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select by segid (as given in the topology), e.g. ``segid 4AKE`` or
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``segid DMPC``

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