Re: [PyMOL] compare crystal packing of two different Space Groups

2011-09-13 Thread Thomas Holder
Hi Shukun, > Thanks for your nice replies. I followed Tom's script, and the problem > solved. Also, I found there was no difference whether the > "segi=1"argument was appended or not. I've checked at the PymolWiki site > and haven't found any "matrix_copy" arguments like 'segi'. "matrix_copy" doe

Re: [PyMOL] compare crystal packing of two different Space Groups

2011-09-12 Thread Thomas Holder
Hi Shukun, why and how did the matrix_copy command fail? If you swap step (2) and (3) everything should be fine. Try this: fetch 2xwu 2x19, async=0 as ribbon symexp mates, 2x19, 2x19, 6.0, segi=1 align /2x19//B, /2xwu//B matrix_copy 2x19, mates* By the way, the segi=1 argument of the symexp com

Re: [PyMOL] compare crystal packing of two different Space Groups

2011-09-11 Thread Nat Echols
I've never found a clean way to do this - what I do is to save a PDB file with the original model and the relevant symmetry mates, which I then use for the alignments. There may be a way to do is with object groups, however. (FYI, you'll probably also need to rename the chain IDs for the symmetry

[PyMOL] compare crystal packing of two different Space Groups

2011-09-11 Thread shukunluo
Dear Pymol users, I want to compare the crystal packing and contacts of two different space groups of the same protein using pymol. Here's what I did: (1)loaded two structures; (2) aligned two structures; (3) generated symmetry-related objects of two structures. However, the symmetry-related molec