Re: [AMBER-Developers] Experiences with sleap

From: Yong Duan <duan.ucdavis.edu>
Date: Sat, 05 Nov 2011 12:47:22 -0700

I'd add: Wei tried to help. The model-building part was in bad shape for
long time. I think this dues in part to the fact that it is just pure
labor without any hint of gratification. Plus, don't we forget that
anything broken, which may or may not be the fault of the one who wrote
it, will trace right back to the one who sweated on it.

My impression is that coding leap was pretty dreadful before. Now, this
time I looked at it again and realized it is actually manageable, perhaps
being improved by someone?

We do need a nice model building user interface with GUI and molecular
editing function. This can be a brand new endeavor or just a leap++. I
think we should plan this as a medium to long term goal. In the mean time,
we still need to add new functions and ensure we have a set of working and
well-maintained model building tools.


Yong

>
>Another "rule": let's limit rehashing of old history.
>
>First violation of the new rule: LEaP development had been stalled for
>many years before Wei arrived on the scene.
>
>...dac



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Received on Sat Nov 05 2011 - 13:00:02 PDT
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