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Phosphate notation #71

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ReneRanzinger opened this issue Apr 26, 2022 · 3 comments
Open

Phosphate notation #71

ReneRanzinger opened this issue Apr 26, 2022 · 3 comments

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@ReneRanzinger
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Is your feature request related to a problem? Please describe.
We have several structures containing phosphate and using the notation [6P]. That seems not correct. What is the correct notation for phosphate groups?

Examples:
G12374LP DManpa1-2DManp[6P]a1-OH
G21647CX DManp[6P]a1-2DManpa1-OH
G54792LL DManp[6P]a1-3[DManpa1-6]DManpa1-6[DManp[6P]a1-2DManpa1-3]DManpb1-4DGlcpNAcb1-OH
G85923WX DGalp[6P]b1-OH

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Any notation will work

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@gitoliver
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We don't support phosphates. We don't have parameters to model them yet.

@ReneRanzinger
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We kept this open till the problem is resolved and phosphates are supported. Does this mean they are supported NOW or will NEVER be supported?

@danwentworthart
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danwentworthart commented Mar 23, 2023 via email

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4 participants