That's easy.
Step one: babel xxx.smi xxx.fpt -xh -xfFP2
[Step two: convert hex in xxx.fpt to an int (in python, we can use
"int(each_byte,16)")
Step three: int to binary] Or just hex to binary
2012/10/17 Chris Morley
> On 17/10/2012 02:32, 蓝鱼在嘴里 wrote:
> > Hi,all,
> > I know openbabel can gen
On 17/10/2012 02:32, 蓝鱼在嘴里 wrote:
> Hi,all,
> I know openbabel can generate four kinds of fingerprints,each has an
> original
> fragement library.If I just want to code a molecule's fingerprint use 0
> or 1 bit to
> represent a fragament exist in the molecule or not,how can I do this? Is
> there
>
Hi,all,
I know openbabel can generate four kinds of fingerprints,each has an original
fragement library.If I just want to code a molecule's fingerprint use 0 or 1
bit to
represent a fragament exist in the molecule or not,how can I do this? Is there
algorithms for this job?--
