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Webservices calculates mol wt for in-line HELM with unused connection points #224

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ClairePA opened this issue Oct 9, 2018 · 0 comments
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ClairePA commented Oct 9, 2018

Structures with unused connection points should not have a calculated mol wt.

Example HELM strings where there are unused connection points that can be used for testing.

PEPTIDE1{[C(=O)[C@H](C)N([*:1])C]}$$$$
PEPTIDE1{[C(=O)[C@H](C)N(*)C |$_;;;;;;;_R1;;;$]}$$$$
PEPTIDE1{[[*:2]C(=O)[C@H](C)N([*:1])C]}$$$$

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