Chris and Geoff, thank you for the clarifications.
Nina
On 13 February 2012 18:13, Chris Morley wrote:
> On 13/02/2012 15:22, Nina Jeliazkova wrote:
>> I've received recently several SDF files, containing various identifiers
>> and calculated descriptors in the first line of SDF records, as in t
On 13/02/2012 15:22, Nina Jeliazkova wrote:
> I've received recently several SDF files, containing various identifiers
> and calculated descriptors in the first line of SDF records, as in the
> example below.
> Is it something OpenBabel generates (I would normally expect these values
> as SDF tags)
> I've received recently several SDF files, containing various identifiers and
> calculated descriptors in the first line of SDF records, as in the example
> below.
> Is it something OpenBabel generates (I would normally expect these values as
> SDF tags) ?
No, but Open Babel will preserve a co
Hello All,
I've received recently several SDF files, containing various identifiers
and calculated descriptors in the first line of SDF records, as in the
example below.
Is it something OpenBabel generates (I would normally expect these values
as SDF tags) ?
ID 2 CAS 00051-28-5 NAME 2,4-Dinitrop
