[PyMOL] problem with distance

2013-06-20 Thread vincent Chaptal
Hi, I've just purchased v1.6 and installed it under MacOS 10.6.8. I have a problem with using distance from a script, as well as via the wizard. my pdb has 12 chains. when I type: distance d1, molA and chain a and resi 53 and name o, molA and chain d and resi 8 and name n the distance is

Re: [PyMOL] problem with distance

2013-06-20 Thread Thomas Holder
Hi Vincent, we introduced dynamic_measures in PyMOL 1.4, which uses the atom ID and is not robust against duplicated IDs. So the workaround here is to switch dynamic_measures off: PyMOL unset dynamic_measures Hope that helps. Cheers, Thomas vincent Chaptal wrote, On 06/20/13 17:09: Hi,

Re: [PyMOL] Problem with distance command(?)

2011-12-16 Thread Jason Vertrees
James, I am currently having a problem with the distance command when applied to merged objects.  The real case is actually when I remove a ligand from a binding site and merge in a new ligand.  But as a simple example, I think I can demonstrate with the following: The problem is in the

Re: [PyMOL] Problem with distance command(?)

2011-12-16 Thread Jason Vertrees
James, This bug is now fixed in the open-source code (commit 3974) and will be fixed in the next beta build of Incentive PyMOL. Cheers, -- Jason On Wed, Dec 14, 2011 at 6:23 PM, James Davidson j.david...@vernalis.com wrote: Dear All, I am currently having a problem with the distance command

Re: [PyMOL] Problem with distance command(?)

2011-12-16 Thread James Davidson
Hi Jason, This bug is now fixed in the open-source code (commit 3974) and will be fixed in the next beta build of Incentive PyMOL. That was quick work - thanks! Kind regards James __ PLEASE READ: This email is

Re: [PyMOL] Problem with distance command(?)

2011-12-15 Thread Thomas Holder
Hi James, I can confirm this, looks like a recently introduced bug. Correct result with pymol-1.4.1 Wrong result with pymol-1.5.0b1 Troels is right, if you alter the IDs you can work around the bug. alter ala2, ID=ID+100 But AFAIK only `index` is a unique atom property in PyMOL, so still I

[PyMOL] Problem with distance command(?)

2011-12-14 Thread James Davidson
Dear All, I am currently having a problem with the distance command when applied to merged objects. The real case is actually when I remove a ligand from a binding site and merge in a new ligand. But as a simple example, I think I can demonstrate with the following: frag ala, ala1 frag ala,