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@VijayPande has recently brought up the issue of creating a top level "OpenMM application" for running simulations without writing any code. We've discussed this idea a few times before, but could ne…
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BTW, this is great. Beautiful smooth viewer.
But, now that I have this working on my mixed solvent system (as discussed here: https://github.com/mdtraj/mdtraj/issues/1122#issuecomment-222601126) I ru…
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Maciej , I tried to implement oddt to student teaching with ipython notebooks and faced with wired thing:
I loaded protein
```
for ps in oddt.toolkit.readfile('pdb','/tmp/1lmp.pdb'):
if ps.molw…
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(I am using code from ngl dev, just pulled)
``` javascript
superpose: function(cindex0, cindex1, params){
// superpose two components with given params (not yet)
var com…
hainm updated
8 years ago
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I would be grateful for some help.
I have no problem embedding the viewer in a web page and using the 'data-pdb' tag to get it to load a pdb id of my choice direct from the rscb. I am unable however…
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We should add an [NGL](https://github.com/arose/ngl) version of LatticeGUI.
- Look at the HTML generated by LatticeGUI3Dmol and determine the equivalent commands in NGL
- Create a mustache template fo…
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Hi guys,
I'm in version 1.0.26. I run: `model.viewStates(ligand="resname MOL and noh")`. And got the following error:
What am I missing?
```
/nfs/grid/software/hpcc/apps/Linux-x86_64-RHEL6/acellera/…
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```
Description of Feature:
• Water transparency slider.
• The Simulation needs a slider to make water transparent, or at least less
noticeable.
• Perhaps this should be built into sidebar compound c…
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Hi there,
I am having problems when trying to use the docking tool. I follow the steps for the example on the tutorial (https://www.htmd.org/docs/tutorials/docking-simulation-generators.html), but I …
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Would it be possible to get a minimal shiny app example with the new chemsketcher functionality?
It is not clear to me how to migrate the gadget to a shiny app.
When I try the code below which I tho…