[Matrix-SIG] MMTK and Surface Calculation

[Raphael Guerois]

Hi

Does anyone tried the method surfaceAndVolume() in mmtk module? I don't
manage to to run it from this small script... Do you any idea ?... Thanks!
Raphael

from mmtk import * 
import PDB,Units

seq=PDB.PDBFile('/data/pdb/1shg.brk').readSequence(1) 
seq.deleteHydrogens() 
prot = PeptideChain(seq[0],hydrogens=0) 
surface,volume = prot.surfaceAndVolume(probe_radius=1.4 *
Units.Ang)

resulted in : 

>>> ## working on region in file /usr/tmp/python-3... 

Process Python segmentation violation (core dumped)