Comments (2)
Thanks @Rider99 for your interest on pyCOFBuilder and for summarizing some of the main bugs on the current version.
For square topologies, the tool only allows the connection of building blocks with four connection points each. In practice, it is possible to generate 2D COFs with square topology using building blocks with four connection points and those with two connection points.
Please take a look on the SQL-A net. It allows the creation of structures with building blocks S4
+ L2
.
Only the L, T, S, and H categories of building blocks have structural images available, while others do not.
Thanks for spotting this error. I'll fix it.
The tool currently does not support generating the Kagome and Rhombic category in 2D topologies.
The Rhombic net is indeed missing. I'll try to add it ASAP. Regarding the Kagome net, can you provide an example of a COF that you would call Kagome. I'm only asking it because the HCB
net could be seen as a Kagome net. It wold also be possible to create a Kagome net only connecting R4
building blocks, similar to the FXT
net. I'll add this option too after I finish the #62 update.
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Thanks @lipelopesoliveira for your detialed reply. Here is a example for the Kagome 2D-COF:https://pubs.acs.org/doi/abs/10.1021/acsmaterialslett.3c01141.
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Related Issues (20)
- Add new building blocks HOT 9
- Adicionar informações sobre smiles das moleculas HOT 9
- Adicionar blocos de construção com carbenos HOT 4
- Add Nitrone-Linked connection group HOT 1
- Alterar os simbolos para representar simetria e conectividade dos blocos de construção.
- Assinalar átomos segundo sua origem
- How to build a new cof module monomer HOT 3
- Launch Sphinx-based manual
- Add 3D nets
- Add log
- Pedido de adição de novo ligante
- Implement 4+3 3D nets
- Implementing LON topology HOT 1
- Addition of building block into core library HOT 1
- AssertionError: Building Block name is invalid!
- The group topology and bbs were obtained from cif structure HOT 1
- Addition of a bb
- Addition of a bb
- Addition of a bb
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