ct to get normal
PX1=DY12*DZ23-DY23*DZ12;
PY1=DZ12*DX23-DZ23*DX12;
PZ1=DX12*DY23-DX23*DY12;
NP1=sqrt(PX1*PX1+PY1*PY1+PZ1*PZ1);
PX1=PX1/NP1
PY1=PY1/NP1
PZ1=PZ1/NP1
PX2=DY43*DZ23-DY23*DZ43;
PY2=DZ43*DX23-DZ23*DX43;
PZ2=DX43*DY23-DX23*DY43;
NP2=sqrt(PX2*PX2
On Tue, Mar 31, 2009 at 9:45 PM, Sean Law wrote:
> the performance is lightning fast. Can anybody help me improve the overall
> performance or suggest an alternative? Thanks in advance!
A kind of alternative would be to use a custom dihedral command, that
avoids evaluating selections:
def tors
Sean,
get_dihedral is expensive because, in the general case, it requires evaluation
of four atom selections - a process which is essentially order N with respect
to the number of atoms currently loaded inside PyMOL.
As you've discovered, the easiest way to optimize performance is therefore to