Hello all,
We are currently working on developing a package for predicting the structure
of alternative nucleic acids (https://github.com/alenaizan/pnab). We use the
C++ OpenBabel API for all the manipulation of the molecule and computation of
the energies. I managed to make the program work i
Hello,
We are currently working on developing a package for predicting the structure
of proto-nucleic acids. In this program, users can input arbitrary backbone
structure and other parameters. Then, the program performs a conformational
search over the dihedral angles of the backbone to predict
, but I
cannot find the force field.
I also tried with newer visual studios but had the same problem.
Asim
From: Noel O'Boyle
Sent: Thursday, September 26, 2019 4:10 PM
To: Asem Alenaizan
Cc: openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
Yes, the command line, including using the force fields, works when I set the
BABEL_DATADIR variable. The problem is that even when I set the BABEL_DATADIR,
my C++ code does not find the force fields.
Asim
From: Geoffrey Hutchison
Sent: Friday, September 27, 2019 3:09 PM
To: Asem Alenaizan
Cc
Sent: Friday, September 27, 2019 3:01 PM
To: Asem Alenaizan
Cc: openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
Have you tried copying the various DLLs and obf files into the same folder as
your own program? Or checking the PATH to see whethe
Setting BABEL_LIBDIR does not fix the problem.
Asim
From: Geoffrey Hutchison
Sent: Friday, September 27, 2019 3:09 PM
To: Asem Alenaizan
Cc: Noel O'Boyle; openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
The program can be compiled and l
Linux and Mac.
Asim
From: Asem Alenaizan
Sent: Friday, September 27, 2019 4:06 PM
To: Geoffrey Hutchison
Cc: Noel O'Boyle; openbabel-discuss@lists.sourceforge.net
Subject: RE: [Open Babel] Using Openbabel with a New Package
Setting BABEL_LIBDIR does not fix the problem.
Asim
From: Geo
your help,
Asim
From: Noel O'Boyle
Sent: Wednesday, October 2, 2019 4:09 PM
To: Asem Alenaizan
Cc: Geoffrey Hutchison; openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
It took me a little while to figure it out, but try adding the followi
Oct 2, 2019 at 4:59 PM Asem Alenaizan wrote:
Excellent! This seems to work.
A second point is that I still need to set BABEL_DATADIR to the correct path
when I use the conda package in Windows, unlike in Linux and Mac. This is a
minor issue but It would be convenient if users do not need to mess
