Hi,
I've noticed several things while using babel. I'm posting to make sure
that I'm not the only one having these issues and/or usage difficulties.
*The -f -l option doesn't work when you want multiple files as output (-m)
*I'm guessing -h and -p are redundant so I only need to use one. This was
never truly touched upon in the documentation.
* --gen3D adds hydrogens by default so I was wondering if it was redundant
with -h or -p. Furthermore I was wondering what --gen3D actually does,
because it seems that it optimizes bond lengths and angles. Is it simply a
"geometric optimization" or is there an energy minimization?
*-e doesn't work when you have one sdf with multiple molecules as input
* is minimization redundant with gen3D?
* I'm having issues with gen3D, it gives me error messages with
"steplength", I forget the exact wording but what does steplength do?
I know this was long winded but please bear with me,
thx
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