Morph conformations - estimated time to completion in status bar?
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Hi all - silly little feature suggestion, but I was wondering if it would be possible to add an live-updating “x % complete” or “estimated time to completion” entry in the status bar when running Morph Conformations? When morphing two structures with very large numbers of atoms, morph conformations can take a long time (hours) to complete, and it would be handy to know whether it is nearly done or not (currently it just shows “computing interpolation 1” until it is finished). On a related note, is there any way to speed up morph conformations for large structures? E.g calculating transformations using C-alpha atoms only? Best, Oliver.
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The status messages for Morph are actually "frame counts". Unfortunately, the computation of frame 1 includes most of the hard work of finding corresponding residues, partitioning the model into pieces to interpolate separately, computing the overall transformation and for each step, creating the trajectory object, etc. The remainder of the frames can be calculated fairly quickly. I suspect that finding corresponding residues is taking all the time, which is why you only see "Computing interpolation 1". How many chains and residues do your models have (and are they identical, ie have the exact same number of atoms named in exactly the same way)? Conrad On 1/20/2015 4:16 PM, Oliver Clarke wrote:
Hi all - silly little feature suggestion, but I was wondering if it would be possible to add an live-updating “x % complete” or “estimated time to completion” entry in the status bar when running Morph Conformations?
When morphing two structures with very large numbers of atoms, morph conformations can take a long time (hours) to complete, and it would be handy to know whether it is nearly done or not (currently it just shows “computing interpolation 1” until it is finished).
On a related note, is there any way to speed up morph conformations for large structures? E.g calculating transformations using C-alpha atoms only?
Best, Oliver. _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
participants (2)
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Conrad Huang
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Oliver Clarke