[Bug 1597525] [NEW] data corruption in unbutu package version
Kevin Horan
1597525 at bugs.launchpad.net
Wed Jun 29 21:26:48 UTC 2016
Public bug reported:
When running the command "obabel -L descriptors", the output contains garbage characters:
# obabel -L descriptors
abonds `�V
atoms
bonds p�
cansmi Canonical SMILES
cansmiNS Canonical SMILES without isotopes or stereo
,S
formula Chemical formula
HBA1 Number of Hydrogen Bond Acceptors 1 (JoelLib)
HBA2 Number of Hydrogen Bond Acceptors 2 (JoelLib)
HBD Number of Hydrogen Bond Donors (JoelLib)
InChI IUPAC InChI identifier
InChIKey InChIKey
abonds InChIKey InChIKey
logP octanol/water partition coefficient
MP Melting point
MR molar refractivity
MW Molecular Weight filter
nF Number of Fluorine Atoms
s SMARTS filter
sbonds SmartsDescriptor
smarts SMARTS filter
tbonds iptor is definable
title For comparing a molecule's title
TPSA topological polar surface area
In particular, the descriptors "cansmi", "formula", and "title" are
corrupted (it appears on the line above each of these names). The
corruption appears to be in the names themselves because when I use the
openbabel library (C++ code) in my own application and try to use any
one of these descriptors, it fails to even find the descriptor,
presumably because the name does not match (due to the corruption). All
other available descriptors work fine.
I have compiled the upstream source code from openbabel directly on the same machine and the output does not contain any corruption and my C++ code finds these descriptors without problem.
Here is the output with the upstream version:
# obabel -L descriptors
cansmi Canonical SMILES
cansmiNS Canonical SMILES without isotopes or stereo
formula Chemical formula
HBA1 Number of Hydrogen Bond Acceptors 1 (JoelLib)
HBA2 Number of Hydrogen Bond Acceptors 2 (JoelLib)
HBD Number of Hydrogen Bond Donors (JoelLib)
InChI IUPAC InChI identifier
InChIKey InChIKey
logP octanol/water partition coefficient
MR molar refractivity
MW Molecular Weight filter
nF Number of Fluorine Atoms
s SMARTS filter
smarts SMARTS filter
title For comparing a molecule's title
TPSA topological polar surface area
I tried downloading the source package of openbabel from Ubuntu and building the package myself, which I was able do successfully, but the corrupt output remained.
System Info
-------------
# lsb_release -rd
Description: Ubuntu 16.04 LTS
Release: 16.04
# apt-cache policy openbabel
openbabel:
Installed: 2.3.2+dfsg-2.2build1
Candidate: 2.3.2+dfsg-2.2build1
Version table:
*** 2.3.2+dfsg-2.2build1 500
500 http://archive.ubuntu.com/ubuntu xenial/universe amd64 Packages
100 /var/lib/dpkg/status
# apt-cache policy libopenbabel4v5
libopenbabel4v5:
Installed: 2.3.2+dfsg-2.2build1
Candidate: 2.3.2+dfsg-2.2build1
Version table:
2.3.2+dfsg-2.2build1 500
500 http://archive.ubuntu.com/ubuntu xenial/universe amd64 Packages
*** 2.3.2+dfsg-2.2build1 100
100 /var/lib/dpkg/status
** Affects: openbabel (Ubuntu)
Importance: Undecided
Status: New
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https://bugs.launchpad.net/bugs/1597525
Title:
data corruption in unbutu package version
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