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Running RMG-Py with PDep for ethylamine oxidation, I get these NetwokErrors, for example:
```
File "/home/alongd/ws/RMG-Py/rmgpy/pdep/network.py", line 569, in calculateMicrocanonicalRates
rais…
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Not sure if this belongs with XCMS or mzR but seems mzR doesn't get it right.
I have an mzML file (sample: https://drive.google.com/file/d/0BzbMKsT1SFGiUzVQNzhSM3VjRXc/view?usp=sharing) converted fro…
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Right now we estimate the enthalpy, entropy, and heat capacity of adsorbates by removing them from the surface and them using the gas-phase counterparts. We can still use this approach, but we need to…
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Going the conversion route I still am having `wine` issues.
```
steven@emu:~/bioinfo/020917$ for file in *.raw; do no_path=${file##*/}; no_ext=${no_path%.raw}; WINEPREFIX=~/.wine32…
sr320 updated
7 years ago
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You can request in your input file a thermo library that doesn't exist, and it doesn't cause a problem until trying to look thermo up in the library when it gives a KeyError. It would be nice if it ch…
rwest updated
8 years ago
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There are quite a few Thread.sleep() calls in the library, most without much in the way of explanation but these can seriously hamper performance if the user isn't aware.
For instance, there is a 200…
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I am interested in estimating thermodynamic properties of a list of molecules in SMILES notation using the benson group additivity method built in RMG. I tried to just specify the list of species and …
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Comet/MSToolkit needs to import the type library from the Thermo MSFileReader library in order to compile. Currently the import identifies the library using an explicit file path, and the crux build e…
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Hi There,
I am trying to run it on Lightblue Bean but I get the error ble_protocol.h: No such file or directory after I have imported the CurieBLE and CurieIMU libraries.
```
In file included…
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Hi,
shouldn't protein maturation be an ancestor of some (all?) of the protein glycosylation terms?
Reported by: antonialock
Original Ticket: [geneontology/ontology-requests/9829](https://sourceforge…