Tangram TalaDraw¶
UCSF Chimera extension to build 3D structures out of two-dimensional sketches.
It uses BKChem to handle the 2D drawing, and then transfers the data into UCSF Chimera for further processing.
Note
This is only a pre-release. It barely works! That said, please test it and tell us how we can improve it.
Features¶
- Draw any 2D molecule in an interactive canvas and build a 3D molecule out of it
- Run any command when the 3D molecule is loaded
Note
This extension uses Chimera’s open smiles feature, which needs Internet connection.
Usage¶
Click on Open to launch a BKChem instance and draw on the canvas. When you are ready, use the selection tool to highlight the molecule to be loaded and click on Smiles to Chimera. If you have specified a command on the launcher window, this will be executed after loading the molecule. You can refer to the newly loaded molecule as $#.
Some useful examples:
Align molecule against an already loaded compound (e.g. #0.1)
subalign #0.1 #$ methods best,com
Requirements¶
libtangram(pip-installable)pmwbkchem,oasa(conda-installable)
Note
conda install -c insilichem/label/dev -c insilichem -c conda-forge tangram_taladraw