Greg,
Once again - many thanks.
I admit to making my solution way harder, 'cos I'm an idiot: I was deleting
all conformers but the one I needed. Your solution is much more elegant
(and safer!). This now works flawlessly for me.
Best,
Andy
On Tue, Oct 31, 2017 at 2:06 AM, Greg Landrum
On Mon, Oct 30, 2017 at 10:14 PM, Andy Jennings
wrote:
>
> Next question on this topic, as I can't find it from digging into various
> sources.
>
> The solution you pointed me to works very well. I'm now expanding it to
> compare the 'color' between two conformations
2 matches
Mail list logo