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It should be possible to export all monomer or the current monomer highlighted.
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Reported to me by Beda Kosata:
a student of mine reported to me a problem when generating images using
pybel.
I am attaching a molfile produced by ChemFinder from a PubChem structure
which contain…
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Compiling openBabel 2.1.1 on Linux.
Compilation is ok, but cml test fails :
# sh ./cml.sh
# Testing CML support...
*** glibc detected *** double free or corruption (fasttop): 0x08c7f9c8 ***
1…
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When converting molecule from attached Molfile to SVG, I get incorrectly large font for "+." charge on Cl atom.
obabel -V says:
Open Babel 2.3.1 -- Nov 15 2011 -- 04:17:16
Reported by: *anonymo…
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search1.mol and search2.mol should be found in target.mol, I believe?
This is reproducible with the comand line tools, the GUI and the library functions.
I have attached the molfiles and their r…
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The new ChemDraw CDX support in 2.1.0b1 and the developer repository
is nice, but it corrupts some 2D coordinates.
The attached file is was a pentacene CDX file (attached later) converted to
MD…
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I think there is a general problem in dealing with stereochemistry with SMILES strings, and that this bug is tied to [ 1742876 ] and [ 1792878 ], and possibly to a bunch of closed bugs. We are looking…
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When creating a new monomer, we currently can only import HELM and xHELM in the structure field. Since these are only small molecules for monomers, we should support other formats such as MOL, SMILES …
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For visualization and analysis purposes, it is often convenient to keep atoms belonging to the same entity, e.g. molecule, close together. While using fully unwrapped coordinates achieves this purpose…
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**In raising this issue, I confirm the following:** `{please fill the checkboxes, e.g: [X]}`
- [x] I have read and understood the [contributors guide](https://github.com/pi-hole/pi-hole/blob/master…