Do you guys know frido is now a real group leader, the only one, in
wolfgang's group? :)
Andrej (Sent from my iPhone)
On Sep 23, 2009, at 10:06 AM, Friedrich Foerster <
> wrote:
On Wed, Sep 23, 2009 at 4:42 PM, Daniel Russel <>
wrote:
On Sep 23, 2009, at 7:31 AM, Friedrich Foerster wrote:
On Wed, Sep 23, 2009 at 5:14 AM, Daniel Russel <>
wrote:
On Sep 22, 2009, at 6:55 PM, Keren Lasker wrote:
Daniel -
1. does this solution means that f3-f5-f7 (and f0-f1-f2) are
simplified
to
a single sphere ?
so i implemented option 1, which seems to do what i want (the
restraint acting closest two spheres).
to check that the code actually does the right thing (score the
single
shortest distance between (f3,f5,f7) and (f0,f1,f2)) i tried to
return
the connected pairs (=ONE pair for my desired restraint, not FIVE
restraints for the undesired behavior). sadly,
connrest.get_connected_pairs() returns my newly generated particles,
which specify the interacting fragments. is there any way to return
the actually interacting LowestRefined particles? otherwise, i
cannot
check that the code does the right thing (and the information is
useful for me)...
Good point. The easiest way around is for me to add add a method to
the
LowestRefinedPairScore that returns the actual pair given an input
pair.
Makes the verification two steps, but it is just verification, so
being
slightly annoying seems fine to me. I'll do that later today.
thanks. that'd be ver useful for me.
BTW, if you really only have an interaction between two sets of
particles,
you might as well skip the connectivityrestraint and just use a
pairrestraint.
?
I need the msp functionality, i.e., the restraint should only use the
shortest inter-fragment distance for scoring. i thought the
ConnectivityRestraint is the appropriate restraint type. if
PairRestraint does the same i could also use that - however, i have
sometimes >2 fragments involved, so anyways, i'll need the
ConnectivityRestraint, i guess.
i'd encourage another thing for the documentation: it'd be useful to
have a somewhat more informative short description (one sentence) for
each class/function in IMP. for example, if PairRestraint calculates
the msp between input particles if they have children, it'd be nice to
tell that explicitly. even better would be to link to
ConnectivityRestraint and highlight similarities/differences.
thanks
frido
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