Looks fine, but probably best to avoid "new" and "delete". For
example, see code at
http://openbabel.org/docs/current/UseTheLibrary/CppExamples.html
- Noel
On 5 September 2013 12:16, Rafel Israels
wrote:
> Dear all,
>
> As a new Babel-user first of all I'd like to thank you for this great
> sof
Hi,
Hello, I have some problems with the babel, when I convert a protein that
> have more than one monomer (dimer, tetramer and etc), the mol2 file mix the
> monomers, and I can generate the cartoon view and I can't use the mol2
> output in another softwares, for this mixture problem.
>
In which
You need to provide a detailed, exact description of the steps you are
using, exactly what goes wrong, and include the files you are using. Are
you using other programs besides OpenBabel? Is the problem with OpenBabel
or the other programs? The more information you can give, the better your
chan
Rafel,
Valgrind often reports uninitialized-variable errors and off-by-one array
index errors in system libraries. In the valgrind output you provided, the
error is in libz, the gzip-compression system library.
This has nothing to do with OpenBabel, and is probably a harmless warning.
Craig
O
Dear all,
I have downloaded Openbabel on my windows, but when I want to convert a
VASP-CONTCAR or POSCAR file to pdb file, it doesn't work.
Any help would be appreciated.
Cheers
Saeedeh
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Hello, I have some problems with the babel, when I convert a protein that
have more than one monomer (dimer, tetramer and etc), the mol2 file mix the
monomers, and I can generate the cartoon view and I can't use the mol2
output in another softwares, for this mixture problem.
Someone can help me?
Th
Hi all..
I want to convert a dataset of cdx files into mol2 format.but at the same I
am having some text entries in those cdx like their chemical name and their
inventor and their activity. I want to know that how to convert those cdx
files along with their text entries into mol2 format? And is it
Dear all,
As a new Babel-user first of all I'd like to thank you for this great
software !!
My question: what is the correct way (in c++) to generate an OBMol
object from a smiles-code ? I know how to convert smiles e.g. to inchi
directly using a conv->convert(), but I dont see yet how I can get
