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 -- ___________________________________________________________ Sign-up for Ads Free at Mail.com http://promo.mail.com/adsfreejump.htm