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Hi, Dear developer,
I have encountered a run error when I run "docker run compose-tpp-1 runtppmktop.sh -i test.pdb -o output.itp -l lack.itp -f OPLS-AA -v".
Can you help point out where m…
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I'm guessing the pack was released in a hurry for the Halloween hype and you guys forgot to tidy up both the client and server packs for release.
Server pack has many Client mods that do nothing an…
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Ville Koskinen is working on mzIdentML 1.2 export from Mascot and reports this issue:
we're looking at what changes are needed to export mzIdentML 1.2 from Mascot Server. One problem we've encounte…
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## Feature
I propose to add three software syscalls (i.e., https://github.com/risc0/risc0/blob/main/risc0/zkvm/src/host/server/exec/syscall.rs#L107) that are useful for modular operations and do no…
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## Expected Behavior
I expect `alntmscore` to be different from `ttmscore`.
## Current Behavior
All `alntmscore` values are equal to `ttmscore`.
## Steps to Reproduce (for bugs)
Here is…
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I recently had a discussion with Adam Hospital about making the OPTIMADE standard suitable for biomolecular data.
The most important data to share, that is not standard in Optimade, would be:
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I have a problem that the wwPDB deposition server and also the wwPDB validation server misidentifies my polymer chains as polyribonucleotide instead of polypeptide(L) when I upload the refined.mmcif f…
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Based on the filter option (#1712) add functionality for the API to support filtering these tables. They should be all server side paginated.
You may also have to implement an init webservice for …
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## Expected Behavior
Searching Alphafold/UniProt database with a domain PDB file (406 AA). Ex online: https://search.foldseek.com/result/gDrI9s90OiVzH1Bl_4llQxgS3c02yXxavhnhjg/0
## Current Behav…