Hi Andreas,

That sounds perfect as it keeps the options panel nice and compact. Do you have a recommendation for the range (min to max) of settings for each of these options?

Shane

On 6/10/2009, at 5:58 PM, Andreas Prlic wrote:

Hi Shane,

If we take perhaps the three most important ones:

maxIter - the number of times dynamic programming is run.
seedRmsdCutoff -  the Rmsd cutoff for initial seeds
diagonalDistance and diagonalDistance2 that define at which intramolecular distance the two proteins a re compared.

There will probably some more work being done re structure alignments for the next release, but it is a bit early to go into details.

Andreas


On Sun, Oct 4, 2009 at 7:09 PM, Shane Sturrock <[email protected] > wrote: I've started working on a plugin for Geneious to allow our users to align 3D PDB structures and I'm basing this on sc.align(). I've got it working and I've also got all the parameter defaults however there are a lot. I'm looking for a bit of advice on which ones are likely to be useful to a typical user so I only have to put a limited set into the options panel as there is no need to overload them and also a pointer to where I can find the information on the acceptable limits for each parameter since this information doesn't appear in the JavaDoc. I do have the original paper by Lackner et al but it would be better to know what is recommended specifically for the implementation in biojava.

Cheers,

Shane

--
Dr Shane Sturrock
[email protected]
Technical Product Manager - Geneious Software
Tel: +64 (0) 9 379 5064
Mob: +64 (0) 21 882 482
220 Queen St
Level 6 Data Centre Building
Auckland
New Zealand









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--
Dr Shane Sturrock
[email protected]
Technical Product Manager - Geneious Software
Tel: +64 (0) 9 379 5064
Mob: +64 (0) 21 882 482
220 Queen St
Level 6 Data Centre Building
Auckland
New Zealand









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