>> I assume that moving to CDK is a good thing.
I intended that to be a statement, not a question.
But thanks for enumerating the advantages for me.
>
> Yes, it is ;)
> The advantages:
>
> 1. CDK has a larger developers community
> 2. CDK has a large repository of chemoinformatical libraries
>
On Sunday 01 December 2002 13:38, mth wrote:
> >> Q: What was the reasoning behind using doubles instead of floats? Is
> >> it the case that this level of precision (or range) is needed?
>
> Is there any type of calculation in chemistry where it would ever make
> sense to have that much range & pre
>> Q: What was the reasoning behind using doubles instead of floats? Is
>> it the case that this level of precision (or range) is needed?
Is there any type of calculation in chemistry where it would ever make
sense to have that much range & precision?
> I did not report it yet, as I was wondering
On Sunday 01 December 2002 12:52, mth wrote:
> As part of the conversion to the cdk Atom class I noticed that the
> physical coordinate representation of atoms (in Angstroms) went from float
> -> double ... Point3f -> Point3d.
>
> It really doesn't matter to me. And remember that I am not a chemist
As part of the conversion to the cdk Atom class I noticed that the
physical coordinate representation of atoms (in Angstroms) went from float
-> double ... Point3f -> Point3d.
It really doesn't matter to me. And remember that I am not a chemist ...
Q: What was the reasoning behind using doubles i
