I tried installing 2.3.2 to see if this solved the problem.
I located the patterns file where the SMARTS patterns go (with FP3).
The location of this changed from 2.3.1 to 2.3.2 as stated in the previous
post.
The patterns in the file can be a source of examples of SMARTS.
I use my own set of patte
On 09/02/2013 03:14, JimJoyner wrote:
> "...which you may not have intended..."
> This was intended.
>
> "...but should not be catastrophic."
> This was done and worked many times until this problem came up.
>
> "Possibly the environment variable BABEL_DATADIR has become corrupted."
> I reset the e
"...which you may not have intended..."
This was intended.
"...but should not be catastrophic."
This was done and worked many times until this problem came up.
"Possibly the environment variable BABEL_DATADIR has become corrupted."
I reset the environment variable BABEL_DATADIR.
This did not fix
This is strange behaviour. The command line you showed would write text
representation of fingerprints to C:\OUTPUTNAME.smi, which you may not
have intended but should not be catastrophic. Possibly the environment
variable BABEL_DATADIR has become corrupted. Try re-setting it (via the
Control P
Running openbabel from the command prompt (WIN XP),
accidentally ran it with no input file:
obabel c:\INPUTname.smi -O c:\OUTPUTname.smi -ofpt -xfFP3
After this, tried with the input file there with a list of SMILES,
get error message:
"cannot open aromatic.txt"
and it reverts to saved data for
