This week I decided to install the latest OpenBabel on my Mac laptop.
Here's what I did:
--- The latest instructions for installation from the OpenBabel website are here.
--- I downloaded the latest development version from github here. (Note: I first tried to install the latest release, but there was a problem, so instead I found I could install the development version, which is newer.)
--- I then did this on my Mac laptop, in an terminal window:
% mkdir /Users/alc/Documents/Software/openbabel
% cd /Users/alc/Documents/Software/openbabel
% mv ~alc/Downloads/openbabel-openbabel-3-0-0a2.tar.gz .
% gunzip openbabel-openbabel-3-0-0a2.tar.gz
% tar xvf openbabel-openbabel-3-0-0a2.tar
% mkdir ob-build
% mv openbabel-openbabel-3-0-0a2 ob-src
--- I then installed CMake as it wasn't on my Mac laptop already (Note to self: I downloaded the Mac dmg from https://cmake.org/ and asked Systems to install it).
--- In the CMake GUI on my Mac laptop, I then set:
'where is the source code' to /Users/alc/Documents/Software/openbabel/ob-src
'where to build the binaries' to /Users/alc/Documents/Software/openbabel/ob-build
and CMAKE_INSTALL_PREFIX to /Users/alc/Documents/Software/openbabel-install
(Note: setting the CMAKE_INSTALL_PREFIX variable like this means that you can make a local installation of OpenBabel even if you are don't have the administrator password for the computer.)
--- I then clicked 'Configure' in Cmake and then clicked 'Generate' in Cmake. This makes a makefile for building OpenBabel.
--- Back in the terminal window on my Mac laptop, I typed:
% cd ob-build
% make
% make install
--- Then I tried running Openbabel:
% /Users/alc/Documents/Software/openbabel/ob-build/bin/obabel
No input file or format spec or possibly a misplaced option.
Most options must come after the input files. (-i -o -O -m can be anywhwere.)
Open Babel 3.0.0a2 -- Oct 1 2019 -- 10:22:49
Usage:
obabel [-i<input-type>] <infilename> [-o<output-type>] -O<outfilename> [Options]
Try -H option for more information.
Hurray!!! It worked : )
Now let's try some OpenBabel magic:
% /Users/alc/Documents/Software/openbabel/ob-build/bin/obabel -:"c1ccccc1C(=O)Cl" -oascii
Cl O
__
__ _/
\_ __/ __
\__ __/ _/
\_ _/ __/
\__/ _/
\_ _/
|_/
|
|
|
|
|
|
|
|
|
|
|
|
__
_/ \_
__/ \__
_/ __ \__
__/ \_ \_
__/ \__ \__
_/ \__ \_
__/ \_ \_
| \_ |
| |
| | |
| | |
| | |
| | |
| | |
| | |
| | |
| | |
| | |
| | |
| __ |
_ _/ __
\_ __/ _/
\__ __/ __/
\_ _/ __/
\__ _/ _/
\__ __/
\_ _/
\__/
1 molecule converted
No comments:
Post a Comment