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Zero-radius atoms should not contribute to molecular surface #188

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sobolevnrm opened this issue Nov 14, 2021 · 0 comments
Open

Zero-radius atoms should not contribute to molecular surface #188

sobolevnrm opened this issue Nov 14, 2021 · 0 comments
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@sobolevnrm
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Hello --

srfm mol and srfm smol will generate surface contributions from zero-radius atoms. They probably shouldn't do that but that's a low-priority bug to fix.

What are you trying to accomplish with the dummy atom? There may be other ways to get the information you're looking for.

Thank you

Originally posted by @sobolevnrm in #186 (comment)

@sobolevnrm sobolevnrm self-assigned this Jan 8, 2022
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