From: AUFFINGER P. (VIE) <p.a...@ib...> - 2013-08-31 13:34:56
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Hi,<br /><br />I encountered a weird recent behavior of the command align.<br /><br />In a script where I use the command<br />align (PO4 & name OP1+OP2+P), PO4_target<br /><br />Where PO4 is a selection of O3',O5",P,OP1,OP2 atoms as well as PO4_target<br /><br />When I run the script with "pymol -c" I get the following<br /><br />PyMOL>align (PO4 & name OP1+OP2+P), PO4_target<br /> Match: read scoring matrix.<br /> Match: assigning 1 x 1 pairwise scores.<br /> MatchAlign: aligning residues (1 vs 1)...<br /> ExecutiveAlign: 2 atoms aligned.<br /> Executive: RMS = 0.023 (2 to 2 atoms)<br /><br />The allignment is made only on 2 atoms. (OP1 and OP2)<br />While, it works if I introduce the command in the graphic window of pymol.<br /><br />This worked perfectly with earlier versions of pymol.<br /><br />Best,<br /><br />Pascal |