[phenixbb] ISOLDE dev builds now available

Tristan Croll tic20 at cam.ac.uk
Tue Jul 30 03:53:51 PDT 2019

Hi all,

Since the release of ISOLDE 1.0b3 I've begun releasing regular 
(weekly~fortnightly) development builds of ISOLDE. These are built 
against the ChimeraX daily build at the time of release - if you 
download a ChimeraX-daily build and install ISOLDE in the usual way via 
Tools/More Tools... this is what you'll get. In case you're worried, the 
dev and official 1.0b3 builds install into different directories, so 
it's quite straightforward to have both versions running independently 
on the same machine. The dev builds are *not* compatible with the 
ChimeraX 0.9 stable release.

Some important changes since 1.0b3/ChimeraX 0.9:

- the ChimeraX team have fixed some bugs affecting PDB and mmCIF I/O 
(primarily involving the handling of "imperfect" files)
- fixed a bug causing the simulation to crash if the minimiser didn't 
converge in the first round
- added status messages during simulation startup, and clear indications 
of when a simulation is running/paused
- improved simulation startup time, and handling of custom ligands 
(preparing ligand definition files is a work in progress and will 
currently need you to do some work outside ISOLDE - feel free to contact 
me if you have an urgent case)

Best regards,


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