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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates | |+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates | ||
+ | |- | ||
+ | ! New Script | ||
+ | | [[Center Of Mass]] has been re-written to calculate either the center-of-geometry or (mass-weighted) center-of-mass for a given selection and represents that selection as a pseudoatom (rather than a CGO sphere). This script provides three improvements to the previous script: 1) The real center-of-mass can be calculated based on a table of atomic masses, 2) pseudoatoms are used to represent the center-of-mass which, unlike CGO spheres, can be used to measure distances, angles, etc, 3) The COM/COG calculator is written as an independent function which can be called as "get_com". | ||
+ | |- | ||
+ | ! New Script | ||
+ | | [[Jump]] is a tool for jumping from one frame to another when you have a movie, MD simulation, or multiple models loaded into PyMOL. | ||
+ | |- | ||
+ | ! New Scripts | ||
+ | | [[ResDe]] is a suite of programs designed to assist crystallographers in defining user defined hydrogen bond distance restraints, which can be helpful when refining low-resolution structures. | ||
+ | |- | ||
+ | ! New Script | ||
+ | | See [[BiologicalUnit]], for a workaround to the buggy [[Symexp]] command or if you just want to learn more about symmetry expansion in PyMOL. | ||
+ | |- | ||
+ | ! New Script | ||
+ | | See [[Supercell]], the new script for making XxYxZ supercells. | ||
+ | |- | ||
+ | ! New Script | ||
+ | | See [[Split_Object_Along_Axis]], for a script that allows one to select a bond, and then generate 2 selections: one for the selection of all atoms that are on one side of this bond, and the other selection for the atoms on the other side of the bond. | ||
+ | |- | ||
+ | ! New Script | ||
+ | | See [[Consistent_View/_Map_Inspect]], which is a toolkit for rapidly inspecting multiple maps and models. | ||
+ | |- | ||
+ | ! Server updates | ||
+ | | The underlying servers upon which the PyMOLWiki runs were upgraded over the weekend. We are now fully functional. A '''deep''' thanks to [http://www.bitgnome.net BitGnome] for donating time and hardware for the PyMOL project. | ||
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! New Script | ! New Script | ||
| [[SelInside]]—Creates a custom selection of all atoms spatially inside some user-defined box. | | [[SelInside]]—Creates a custom selection of all atoms spatially inside some user-defined box. | ||
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Revision as of 16:02, 28 May 2010
The community-run support site for the PyMOL molecular viewer. |
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