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#994 obminimize gives warnings
To reproduce:
obminimize 4047.mol
It reports
==============================
*** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init
Cannot initialize database 'types.txt' which may cause further errors.
==============================
*** Open Babel Warning in OpenBabel::OBTypeTable::Translate
Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning in OpenBabel::OBTypeTable::Translate
Cannot perform atom type translation: table cannot find requested types.
However, then it continues with
A T O M T Y P E S
IDX TYPE RING
1 12 NO
2 11 NO
3 39 AR
4 9 AL
5 66 AR
6 37 AR
7 63 AR
8 37 AR
9 4 AL
10 3 AL
11 63 AR
12 64 AR
13 37 AR
14 37 AR
15 37 AR
16 37 AR
17 37 AR
18 37 AR
19 37 AR
20 37 AR
21 37 AR
22 37 AR
23 60 NO
and outputs seemingly-correct optimized structure.
obabel -V
Open Babel 2.4.1 -- Oct 10 2016 -- 21:23:29
I'm on Windows 10. Reproducible with both 32-bit and 64-bit binaries.
The environment variable BABEL_DATADIR is either not set, or pointing to a location that does not contain those files. It should be set, by the installer. If you could open a new command prompt and check whether it's set correctly, that'd be appreciated. echo %BABEL_DATADIR% will do the job. I don't have a Win 10 machine to hand, so I can't help much beyond this.
Ah, it works in a new command prompt without warnings!
Please close.