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#994 obminimize gives warnings

2.4.x
wont-fix
None
1
2017-03-24
2017-03-24
Pent
No

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.

1 Attachments

Discussion

  • Noel O'Boyle

    Noel O'Boyle - 2017-03-24

    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.

     
  • Pent

    Pent - 2017-03-24

    Ah, it works in a new command prompt without warnings!
    Please close.

     
  • Noel O'Boyle

    Noel O'Boyle - 2017-03-24
    • status: open --> wont-fix
    • assigned_to: Noel O'Boyle