biowerkzeug

Announcements
This forum is used by developers and staff to announce important news about Hippo.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Installation
How to compile and install Hippo. You can also report architectures (hardware and operating system) on which you managed to get Hippo running and discuss tuning options for performance.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Simulation setup
Discussions on how to set up simulations, typically starting from a pdb file.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Running simulations
You successfully prepared your system. Now: How do I tell Hippo to produce a trajectory from it? What parameters to choose? And what should I do when things go wrong.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Analysis
After a successful calculation you want more than just to see the atoms wiggle: Here you can discuss how to use Hippo to compute observables from the simulation. For more general discussions on analysis of simulations see also the Molecular Simulations -> Analysis forum.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Force field parameters
Discussions about the force fields implemented in Hippo. For general force field discussions see Molecular Simulations -> Force fields.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Bugs
Please report bugs and crashes. Read the first post about reporting bugs, please. Depending on volume we may later switch to a dedicated bug tracking system.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Feature requests
What would you like to see implemented in Hippo? Let the developers know. You can also use polls to have other users vote for your suggestions. Use one topic per request.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Other Biomolecular Simulation communities
Let everyone else know about the native community for you favourite Biomolecular Simulation package. Use one topic per package.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Force fields
How and when to use a particular force field? Why would you choose one force field over the other? What are the merits, what are the caveats?[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Molecular simulation package advocacy
Tell us why you like to use package X for running biomolecular simulations. What are the advantages? What would you improve or would you like to have ported from another package Y into X?[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Analysis
Discuss methods to obtain meaningful observables from simulation trajectories. You can share scripts or just ideas and links to other communities are very welcome, too. For Hippo-specific analysis have a look at the Hippo -> Analysis forum.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

Visualization
How to display biomolecules in motion: from rasmol to Alias Wavefront.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable

White Noise
The place for off-topic discussions but please refrain from profanity, vulgarity and advertisements. Discussing the best place to drink beer in Oxford is ok, though.[phpBB Debug] PHP Warning: in file [ROOT]/vendor/twig/twig/lib/Twig/Extension/Core.php on line 1275: count(): Parameter must be an array or an object that implements Countable