| 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 BitGnome for donating time and hardware for the PyMOL project.
|
| fetch_host setting
|
Fetch_Host has been added to allow users to download PDBs from their PDB server (pdb, pdb euro, or pdb japan) of choice.
|
| Fetch
|
Fetch has been updated to also load electron density maps.
|
| Schrodinger Buys PyMOL
|
Schrodinger has purchased PyMOL. Development, support and open-source fun to continue! Read about the sale.
|
| User Movie
|
One of our users has posted another interesting movie, images from which were created with PyMOL.
|
| New setting
|
surface_cavity_mode to change how PyMOL displays cavities.
|
| Search fixed.
|
Thanks to a eagle-eyed user, our search has been fixed. Please let us know if you have any search-related problems.
|
| New Command
|
Cache—stores information on structures, so we don't have to recompute them.
|
| Warren
|
News about Warren DeLano's passing may be read on Warren's memorial page.
|
| Setting
|
Fetch_Path—Sets the default path for the fetch command.
|
| New Script
|
SelInside—Creates a custom selection of all atoms spatially inside some user-defined box.
|
