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The SI units for molecular weight should be kg/mol and not g/mol...
jowr updated
10 years ago
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- [ ] check the runinfo to make sure the sample can be combined (i.e. same pairedness, insert size, read length)
- [ ] make sure we don't process the same file twice
- [ ] concatenate output file…
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I was trying to extract molecular descriptors for the following smiles, however, the CDDD couldn't extract them. Do you know what is the reason? Thanks in advance.
smiles
COc1cc2c(cc1OC)CN(Cc1ccc(-c…
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## *Hosting Details*
*The Request will be deployed Molecular Absorption Spectroscopy Lab*
**Request Type**:
- [ ] Urgent
#### Note: All of the following request parameters are mandatory. Pleas…
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### Describe the bug
I renamed 8 pattern providers the same name in an anvil like I've always done in older versions of ae
Placed them down, and they show up in pattern access terminal w/o name
…
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Adding a new tab with most potent molecule generation tools
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In GitLab by Charles Varin on 07 Apr 2014, 16:07 (GitLab issue GL#223)
Hi,
right now, EPOCH implements ionisation with atomic models (Keldysh, ADK, ...). But the ionisation rates for atoms and mol…
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Dear professor:
The work here is highly valuable. I want to replicate the workflow according to the examples, but I can't find several important files. They are "./data/molecular-atlas-master/data/sl…
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## Background
We should expand the **Molecular viewer** functionality by the following features:
- ability to change the view (display) mode for the model
- ability to change the color scheme for…
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### Please describe the problem or enhancement:
I am exporting 3D molecular orbitals from a GAMESS log file using MacMolPlt. It works pretty well, but it is a little bit time consuming as I have to …