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I'm trying to use the search gui and peptide shaker for peptide mass fingerprinting. Both seem pretty intuitive and complete, but I can't make progress on some algorithms in the search gui, but mostly…
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- email
- ewild@princeton.edu
- classes [do not include phrases in config]
- CC600-605 Boundary stones
- CC700-705 Stone heaps, cairns, etc., of unknown purpose
- G369-503 Special voyages and …
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**Submitting author:** @moritzobenauer (Moritz Obenauer)
**Repository:** https://github.com/moritzobenauer/ProjectRaccoon
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.1
**Edi…
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Hi,
I'm hoping to use OpenMM to do a simulation of disulfide cross-linked polymers and I'm trying to figure out if there would be an efficient way to implement forming and breaking bonds in OpenMM …
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A discussion came up in PR #774 regarding the correct behavior when parsing an mmCif file without `auth_seq_id`.
BioJava 4.2.11 requires the `auth_seq_id` column. This is a problem because it is op…
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with adding pig in the current release, we will finish our high target species list. We need to select new targets for 2.5 and onwards. We had a species collection based on one of my games from the F2…
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This is the set of required fields per kind of substance from the ISO 19844 Annex L draft, attached to [IDMP-368](https://jira.edmcouncil.org/browse/IDMP-368), in this case for polymer substances.
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Hi,
This is in regard to the GitHub repo: https://github.com/usnistgov/WebFF-Documentation
I have added the Docs4NIST.yml file, edited the Sphinx build files to match the Docs4NIST requirements,…
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There is a list of material types in the old IPERION-HS Database these need to be pulled across
- This relates to the "material category" in the technique model.
- This also needs to be add this …