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Hi,
thank you very much for making this available! I am using this together with RFDiffusion to create small protein complexes and the interfaces look very good in many cases. However, I found that …
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Since Destroy 1.0 seems to add more to inorganic chemistry, I suggest the ability to precipitate ionic compounds from solution.
- Salts start precipitating from a liquid when their (perhaps tempera…
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Hi,
I really like this library and everything seems to work fine with python 3.7. However any further version seems to return very odd solubility values, they tend to infinity for temperatures lowe…
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Hello, I have a question about calculating solubility of CO2 in aqueous amine solutions.
**I want to draw these graphs using sgtpy.**
![images_large_je0c00746_0006](https://github.com/gustavochm/sgt…
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1st expansion:
![image](https://github.com/StructuralGenomicsConsortium/CNP12-Nsp15-TAMU/assets/147162201/1eb947b6-707c-45fa-8609-521a96849bc1)
2nd expansion:
![image](https://github.com/Structur…
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The number in the “Value” column for a solubility table seems to (initially) correspond to the first entry of the table. But if the first entry of the table is changed (“Molecules” building block), th…
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Following from issue #9, the results from the soaking experiments are summarised below:
![Oxford Soaking 2022](https://user-images.githubusercontent.com/18062981/150792596-03135132-ad29-485e-9d11-6…
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Hi @ucnvwqt - OK so two things I think are crucial at this point (where we're amazed that the correlation between calculated and measured solubility is so baaad).
1) [Stoplight paper](https://chemr…
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Here's the steps I think, pseudo logic:
1. Make the column a certain length, eg. 10m
2. Make the air peak a certain velocity, eg. 1 m/s
3. Calculate the time required for the air peak to animate …
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Hello,
I would like to calculate aqueous solubility. What concentration do I need to enter? And you mentioned in the last issue that you will be releasing a new version soon. Can you tell me approxim…