hi,
while using kabsch.py by Jason Vertrees from the pymolwiki site
(http://www.pymolwiki.org/index.php/Kabsch#The_Code)
i am getting the following error message:
Traceback (most recent call last):
File "C:\Program Files\DeLano Scientific\PyMOL/modules\pymol\parser.py", line
191, in parse
result=apply(kw[nest][0],args[nest],kw_args[nest])
File "kabsch.py", line 578, in optAlign
U, T1, T2, RMSD, c1, c2 = K.align(stored.sel1, stored.sel2, [])
File "kabsch.py", line 161, in align
R = self.calcR(c1, c2)
File "kabsch.py", line 254, in calcR
R[i][j] = R[i][j] + (1 * (c2[k][i] * c1[k][j]) )
TypeError: only rank-0 arrays can be converted to Python scalars.
on contacting Jason and trying to backtrace the error source it appears that
this error occurs
only on the Windows platform and the error message originates from within
pymol.exe and not
from anywhere within the Numeric package. i have tried different versions of
Numeric and pymol.
anyone have insight regarding this?
i am using pymol 0.99beta12 and Numeric 23.8 on Windows XP SP2.
thanks,
shiven
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