Good suggestion. I actually did try that, but discovered it too has some
problems with bond-order perception in simple polypeptides.
Also discovered that Chimera can't display bond orders, but Jmol can.
For the time being, I've found a structure I can use that I assigned and fixed
in the old In
Dear Richard,
Others might know more, but as a workaround you might try UCSF Chimera
in order
to do the PDB to MOL2 conversion.
Regards,
F.
On 09/07/2021 19:52, Richard Gillilan wrote:
Hello all,
I'm actually back to this list after nearly twenty years. Nice to see
this package is still act
Hello all,
I'm actually back to this list after nearly twenty years. Nice to see this
package is still actively maintained!
It will take me a while to get back up to speed, but my needs are the same as
they were back then when I published some docking work using the code:
I use openbabel to c
