[PyMOL] Plugin Tutorial

2011-02-09 Thread Martin Hediger
Dear all I was just working through the Plugin tutorial http://www.pymolwiki.org/index.php/Plugins_Tutorial Writing the plugin from the tutorial as is shown, I happen to receive a gzip error (from the Python Shell): zlib.decompress(pdbFile.read()[22:], -zlib.MAX_WBITS) Traceback (most

Re: [PyMOL] Plugin Tutorial

2011-02-09 Thread Tsjerk Wassenaar
Hi Martin, I have trouble to see how the window buffer size could be negative. Probably it should be zlib.decompress(pdbFile.read()[22:], zlib.MAX_WBITS) Downloading in compressed form is much more efficient. But otherwise I don't think it should give you trouble doing it like that. Cheers,

Re: [PyMOL] Plugin Tutorial

2011-02-09 Thread Martin Hediger
Ok, good to know. I was using the code as shown on the tutorials page, and since I have only limited experience with the zlib module, I was not exactly sure about what it's doing in the first place. I am still wondering though if it is possible to avoid the reinstallment of the plugin whenever

[PyMOL] Calculating domain rotations

2011-02-09 Thread Mark Nance
Hi PyMolers, Is there a way to get a rotation angle from a rigid-body domain movement from PyMol? After superpositioning domain A from structure 1 onto domain A of structure 2, I'd like to state explicitly how many degrees domain B closes by. I'd also like to draw a CGO arrow showing

Re: [PyMOL] Plugin Tutorial

2011-02-09 Thread Jason Vertrees
Hi Martin, I am still wondering though if it is possible to avoid the reinstallment of the plugin whenever a line in the code is changed to see how it affects the functionality. Can this be circumvented somehow? Instead of reinstalling the plugin, just edit the code for it in-place. PyMOL

Re: [PyMOL] Calculating domain rotations

2011-02-09 Thread Thomas Holder
Hi Mark, see attached script. It does calculate angle and displacement but does no visualization. It depends on transformations.py from http://www.lfd.uci.edu/~gohlke/code/transformations.py.html The script was inspired by message Fab elbow angle on this list: