Re: [PyMOL] how to get cealign outputs for mulitple structures

2013-05-30 Thread Jason Vertrees
Hi Jacob, Use the result from cmd.cealign and an "alignment object". Here's an example: # fetch two proteins fetch 1cll 1ggz, async=0 # use a python block python # cealign the two structures and create a corresponding "alignment" object result = cmd.cealign("1cll", "1ggz", object="aln") #

[PyMOL] how to get cealign outputs for mulitple structures

2013-05-30 Thread Jacob Pessin
Hi all, can anyone suggest a straightforward way of collecting the cealign output in bulk, (RMS, #atoms compared), using alignto doesn't even print this to screen (I tried adjusting quiet=, to no avail). thanks in advance jacob