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Hii...
I have .log and .chk files optimized from Gaussian 09. Plz, tell me how can
I make GIMIC input file from this. In addition plz, also tell me whether
the only optimization is required or some…
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I am trying to set up an administration protocol with continuous infusion and a bolus iv dose. 100 mg iv dose given for 5 mins, followed by 125 mg/hr infusion given over 12 hrs, i.e., 1500 mg dose giv…
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Right now, the converter adds all of the locations of all of the entities involved in a reaction as values on function occurs_in location statements.
This is a change from the initial rule that o…
goodb updated
5 years ago
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Add the ability to generate identifiers from QCSchema.
The minimum fields required to generate a molecular graph are different for RDKit and OpenEye.
For OpenEye, the minimum is either symbols an…
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When no active site is annotated, and the complex (or protein set) catalyzes a MF, then add the complex as the enabler of that function. The members of the complex (part_ofs) should get contributes_t…
goodb updated
5 years ago
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Is there a way to reconstruct 3D structures (as in sdf or mol2 files) from the fingerprints generated by the program?
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Could you write a brief methods section for constructing both MBDbs and msp-bs library from DNA to sequencer (ie kit names)?
And estimate cost per/sample
sr320 updated
5 years ago
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Different BioChemEntity instances refer to genes. However, we have no profile for genes. We need to define at least a very basic one.
@Kerruba @micheldumontier @CaroleGoble @AlasdairGray @andyjenki…
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Google "gateway cloning" for videos gives "[SnapGene | Simulate Gateway Cloning](http://www.snapgene.com/resources/gateway_cloning/)". Follow it.
We were using VirD2 as insert. Google "agrobacteriu…
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Reactome often connects physical entities (complexes, compounds, etc.) to reactions using regulates relationships. E.g. see https://reactome.org/PathwayBrowser/#/R-HSA-201681&SEL=R-HSA-201685&PATH=R-…
goodb updated
5 years ago