Hi,
I use openbabel (maybe 2.4.1, installed by the command: conda install -c
openbabel openbabel ) in python 3.5.5 | Annaconda 4.2.0 (64 bit), when I run
the following python code in Sublime Text 2:
import pybel as obh
string = "C(C=CC1)=C(C=1C(=O)O)O"
mol = obh.readstring("smi", string)
print( mol.calcfp().bits )
It will show some warnings:
==============================
*** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init
Cannot open aromatic.txt defaulting to compiled data.
[63, 64, 82, 224, 259, 279, 326, 330, 332, 338, 348, 402, 474, 516, 526, 532,
610, 624, 656, 671, 711, 716, 745, 780, 826, 847, 850, 906, 913, 937, 958, 964,
972]
==============================
*** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init
Cannot open atomtyp.txt defaulting to compiled data.
[Finished in 0.3s]
The results is right: [63, 64, ..., 964, 972]
But I don't know why there are 2 warnings.
What's wrong with it? What shall I do to make it not show the warnings?
Thank you very much for your help.
David Woo
2018-7-29------------------------------------------------------------------------------
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