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Placeholder issue for reactions with charged protein reagents #26

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samseaver opened this issue Jan 28, 2016 · 0 comments
Open

Placeholder issue for reactions with charged protein reagents #26

samseaver opened this issue Jan 28, 2016 · 0 comments

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@samseaver
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This issue concerns reactions where the one or more reagents are proteins, typically with a side-group/chain that's involved in the reaction, and the status indicates a charge imbalance.

A recent commit shows that, rather than attempt to balance the reaction by editing the charge itself, which may have undesired consequences in many other reactions, the individual reactions are "cleared" to be OK by manually appending the "OK|CK" keyword where "CK" means "Checked":

052d83b

I'm not altogether comfortable with this solution, but I don't have the time right now to find an appropriate balance, or to determine if its at all possible. As one colleague describes it, "it's like pushing down bumps in a newly laid carpet, new bumps arise in other places". Nevertheless, this issue is placed here to remind us we have such an issue, and we should take a closer look at it at some point.

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