Nicolas wrote:
>> It hangs when I try to generate all the frames.
>
> I tested it with only one sample (35 frames) under XP with povray 3.6.1
> It worked for me
unfortunately povray 3.6.1 on FC2 still does not work for me.
>> I loaded samples/pdb/1CRN.pdb and said 'hbonds on'
>
> What I did with hbonds is similar to regular bonds : they are not sent to
> povray when they are displayed as wireframe. It may be the problem, could
> you try giving a radius to the hbonds ?
I thought that regular bonds were begin sent to povray as small diameter.
For povray purposes, we should pick a small diameter (.05 ?) to use for
all types of 'wireframe' bonds.
>> I think I know what the problem is ... there is more than one type of
>> HBOND. So the bond-mask needs to check for a whole set of hbonds (by
>> doing
>> some binary masking), not just ==
>
> It may also be a problem, but I don't know which values could be
> considered
> as hbonds.
if ((bond.order & JmolAdapter.ORDER_HBOND) != 0) {
/* this is a type of HBOND */
}
These constants need to be propogated to the JmolViewer API ... and there
should be a predicate to test it in the API, but for now that is the way
that you must do it.
>> > - output of aromatic bonds is added but the position of the full
> cylinder
>> > and the dashed cylinder are not always the same when seen in Jmol. I
> don't
>> > know if it is a problem
>>
>> Yes, I see that the dotted lines are not inside the ring. We should fix
> this.
>
> Yes, we should find a better way to put the dotted lines in the correct
> position.
> But the problem lies also on the Jmol side when things get more
> complicated.
> For example, see samples/hin/dan002.hin.
Hmmm ... I was not aware of this bug.
>> This could be a problem. I chose to use hermite curves in Jmol because
>> the
>> curve will pass through the control points that you specify.
>
> A few years ago I found a way to render a bspline that goes through
> defined
> points.
> I remember I was computing n + 2 control points so that the spline goes
> through the n points.
> The result was nice.
> Have to search in my archives to see if I can find this work.
That would be great.
Miguel
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