Hi
thanks for your reply. Yes it is the id.
I found out also that it takes a lot time because is looping in all
atoms and in the "active" site. So I fixed that.
Anyway more in general, I saw that the manual is lacking of some
information useful for who wants to program. I mean, sometimes it
doesn't
Hi,
I suppose that these numbers are the atom_ids. It's probably the same
numbers returned by the cmd.index function.
I guess you could test this by typing "select atom260, id 260" and see if
that makes a selection with atom260...
As for the speed question, I have no idea. More of a question for
> HBA = cmd.distance('HBA', '(lig and acc)','(active and don)', 3.2)
yes thanks for the trick. However, I edited my script to:
DistOutput.write(" %14s %14s %8s %8s\n"%("donor","acceptor","hba","hbd"))
DistOutput.write(" %14s %14s %8.3f %8.3f\n"%(Don,Acc,HBA,HBD))
but I cannot figure out the mea
Hi,
Well, the cmd.distance method seems to take minimum 4 parameters, not three:
cmd.distance( string name, string selection1, string selection2, string
cutoff, string mode )
where 'mode' is not important.
So, in the script you give, the line:
HBA = cmd.distance('(lig and acc)','(active and
