Good news! Thank you very much,
Asim
From: Matthew Swain
Sent: Saturday, November 9, 2019 6:30 PM
To: Noel O’Boyle
Cc: Asim Alenaizan; Geoffrey Hutchison; openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
Conda packages for Windows (and also
o: Asem Alenaizan <mailto:alenaiz...@gmail.com>
> Cc: Geoffrey Hutchison <mailto:geoff.hutchi...@gmail.com>;
> openbabel-discuss@lists.sourceforge.net
> <mailto:openbabel-discuss@lists.sourceforge.net>
> Subject: Re: [Open Babel] Using Openbabel with a New Package
>
>
&g
gt; 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 N
r 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
&g
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
t;
>>
>> 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: [
this issue
> for 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 Babe
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
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
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
: Noel O'Boyle; openbabel-discuss@lists.sourceforge.net
Subject: Re: [Open Babel] Using Openbabel with a New Package
The program can be compiled and linked correctly against openbabel, but I
cannot find the force field.
Noel's question is whether you can use the standard command-line
> The program can be compiled and linked correctly against openbabel, but I
> cannot find the force field.
Noel's question is whether you can use the standard command-line tools and
convert files:
obabel -L forcefields
obabel -: -omol --gen3d
Finding the plugins is done using the BABEL_LIB
ber 26, 2019 4:10 PM
> *To: *Asem Alenaizan
> *Cc: *openbabel-discuss@lists.sourceforge.net
> *Subject: *Re: [Open Babel] Using Openbabel with a New Package
>
>
>
> Were those conda packages built with the same compiler?
>
>
>
> On Thu, 26 Sep 2019, 21:05 Asim Alena
, 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
Were those conda packages built with the same compiler?
On Thu, 26 Sep 2019, 21:05 Asim Alenaizan, wrote:
> I do not compile Open Babel. I use the pre-compiled library provided in
> conda-forge. And yes, the binaries work if I set BABEL_DATADIR to the
> correct path.
>
> Asim
>
> On Thu, Sep 26,
I do not compile Open Babel. I use the pre-compiled library provided in
conda-forge. And yes, the binaries work if I set BABEL_DATADIR to the
correct path.
Asim
On Thu, Sep 26, 2019 at 3:52 PM Noel O'Boyle wrote:
> When you compile Open Babel, do the binaries work? e.g. "obabel -:
> -omol -
When you compile Open Babel, do the binaries work? e.g. "obabel -:
-omol --gen3d"
Regarding 3.0 versus 2.4.1, the release is imminent. Whether you wait or
not, is up to you.
- Noel
On Thu, 26 Sep 2019 at 17:54, Asem Alenaizan wrote:
> Hello,
>
>
>
> We are currently working on developing a
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
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