Greg,
After running through the process with exception handling in place I was
able to isolate 10 structures that were being problematic. All of them had
at least one bond designated as 0 order in the SD file - much as you found
for some of the other structures previously. I assume that these pa
[moving a general-interest question to the mailing list]
Hi Kirk,
On Thu, Nov 20, 2008 at 6:03 PM, wrote:
>
> I have another question on DbCLI. After getting rid of problematic
> structures, I was able to get DbCLI to the pairwise comparison step, but my
I'm not sure what the "pairwise compari
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