Haven't found a solution to the problem yet. You'd expect something so simple shouldn't be that difficult to find.
Is there a way for me to manually rotate these molecules and align them?
I can align them in PyMol, but the alignment is not done how I want it done.
When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.
Anybody any suggestions for manual alignment of small molecules?
Is there a way for me to manually rotate these molecules and align them?
I can align them in PyMol, but the alignment is not done how I want it done.
When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.
Anybody any suggestions for manual alignment of small molecules?
🎨 🧬 Take a look at the extraordinary watercolor paintings in the Molecular Landscapes Gallery by David S. Goodsell.
The watercolor paintings of David S. Goodsell integrate information from #StructuralBiology, #Microscopy and #Biophysics to simulate detailed views of the molecular structure of living cells. #Proteins, #NucleicAcids, and #LipidMembranes are shown; #SmallMolecules, ions, and water are omitted for clarity.
https://pdb101.rcsb.org/sci-art/goodsell-gallery/
Free for use under CC-BY-4.0 license.
Referenced link: https://phys.org/news/2022-12-scientists-machine-unprecedented-view-small.html
Discuss on https://discu.eu/q/https://phys.org/news/2022-12-scientists-machine-unprecedented-view-small.html
Originally posted by Phys.org / @[email protected]: https://twitter.com/physorg_com/status/1604883552755122177#m
Scientists use machine learning to get an unprecedented view of #smallmolecules @NatMachIntell https://phys.org/news/2022-12-scientists-machine-unprecedented-view-small.html
A new machine learning model will help scientists identify small molecules, with applications in medicine, drug discovery and environmental chemistry. Developed by researchers at Aalto University and the University of Luxembourg, the model was trained with data from dozens of laboratories to become one of the most accurate tools for identifying small molecules.
CCR Feline Research Center
Lorena Rosaleny #AúnEnPandemia
Phys.org