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I am using pgx(pool) with a database where there are a lot of custom types which need registering. Even using some smarts to only register the types actually used by a given application, it still take…
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There are currently 245 'bare exceptions', that is, try/except blocks of the form:
```
try:
... code ...
except:
pass # or something else which ignores the exception
```
For example, Molecul…
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During SMARTS creation, the C termini seem to have a bond perception problem, yielding things like
`[H][C@:3]1([C:2]([C:1](C(N1)([H])[H])([H])[H])([H])[H])[C-]([O-])[O-]`
This Issue is to figure …
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Since you can now duplicate up to x7, it would be very nice to allow you to hold up to 20 smarts/megas. There should be a slider that would allow raising the max cap of secondaries.
(I believe this w…
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I think it would be good to write up what belongs in a format method vs. a print method. Mostly conveying that, when in doubt, put the smarts in the format method and do as little as possible in print…
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To increase the flexibility of deploying Grabbit, the bundles that it depends on should be extracted into their own deployable package. Though [Felix/AEM has some reasonably smarts when it comes to de…
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**Configuration:**
- RDKit Version: 2020.03.1
- Operating system: Linux
- Python version (if relevant): 3.6.2
- Are you using conda? No
- If you are not using conda: how did you install th…
i-tub updated
4 years ago
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## **BUG REPORT**
**High Level Description**
Hi! Why does the latest version still have this bug?
**SMARTS version**
[0.4.17]
**Error logs and screenshots**
![image](https://user-images.gi…
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**Steps to reproduce:**
1. Launch Editor.
2. Create any structure, for example, chain.
3. Double click any structure atom.
4. Select any value for any query atom property, for example, Ring …
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**Steps to reproduce**
1. Create any structure, for example, chain.
2. Click Periodic table.
3. Open Extended tab.
4. Click the "AH" button in the Atom Generics section, click the OK button and …