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Ways to improve both docking2 and symmetric_docking jobs

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Ways to improve both docking2 and symmetric_docking jobs

(1) When you click on a point in a plot, a window appears listing data for that point. Often the cursor blocks the top line of this window. Could you add a blank line to the top of this window so the cursor doesn't block any important data?

(2) Could you prevent job names from ending with blanks, /, or \ characters? I have tried automatically fishing results out of the resultant tar files using Matlab, but Matlab has given trouble when the job names end with blanks. I'd imagine job names with / or \ in them could cause similar problems.

(3) In the *.tar files output by docking2 and symmetric_docking jobs are many *.bz2 files. I think these are compressed files, but so far I have not found a way to uncompress them using Matlab. Matlab can do tar/untar, gzip/gunzip, & zip/unzip on *.tar, *tar.gz, *.tgz, & *.gz files. Are *.bz2 files effective and popular enough to warrant using them instead of these other formats that Matlab can use? WinRAR can uncompress *.bz2 files, but I don't know how to automate WinRAR on a PC like I know how to use Matlab. Is there a DOS command that will uncompress *.bz2 files? Matlab can call DOS commands like FC, for example.

(4) On the web page for each docking2 and symmetric_docking job is a list of input parameters used, the job's Visibility, Protocol, and Description, the CPU hours and Daemon used, and the job's submitted, start, and end times. Is this information included in any of the files you get when you click on "[Download all job files as tar archive]" ? Could it be included in the input.json file, for example? Other info like the # of separate protein chains in each different docking member, each chain's sequence, and the # of amino acids and atoms in each chain would be helpful there as well.

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Wed, 2015-09-23 14:43