[Joelib-devel] Descriptors and silent mode

[<nic...@sy...>]

Hi All,

	I'm working with JOELib, more specially with descriptors. So, I have
several question concerning the use of them;

-> first, is there a silent mode, to avoid the printing of the descriptors
loading ?

-> second, what is the meaning of the order of the values when for example
you ask for "Atom_in_donor" descriptor and you have as output the following
line: 5<0,0,1,0,0> ?
Is this mean that the atom label 2 is donor ?

-> third, I have asked for Gasteiger-Marsili calculation: a first one is
done without adding Hydrogens, and the second one with adding H in my
molecules. But, at the end the results are different. What does it means ? I
thought that this calculation take always the Hydrogens influence ?

-> and fourth, how  could you explain that, for the same molecule:
"Atom_in_donor" is 5<0,0,1,0,0>
"Atom_in_acceptor" is 5<0,0,0,1,0>
"Atom_in_donor_or_acceptor" is 5<0,0,0,0,0> ?

Thanks for the responses,
regards,

nico