Brian Jimenez comments

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                                            Brian Jimenez

Error: command not found or has no execute bit set: [u'/hello']

Thanks for the quick response! Is there any plan to make it supported on macOS or there is any unachievable technical requirement?

Build a peptide from a starting residue

Sure, I mean using the only residue from the PDB file as an anchor and build the rest of the peptide given a sequence.

Build a peptide from a starting residue

Amazing, that is basically what I needed :) Thanks a lot for your quick and useful answer!

Build a peptide from a starting residue

Thanks a lot for the answers and discussion. @clauswilke , we plan to use PeptideBuilder starting from an anchor residue which has been predicted to be in a specific binding...

Cannot output docking score in version of 0.3.2

A few changes were made, if you execute the examples and tests do you experience the same issue?

Cannot output docking score in version of 0.3.2

Closing this ticket for the moment since there was no feedback provided. Please feel free to reopen.

Possible bug in fastdfire atom type index mapping

Thanks for reporting and for the detailed information provided, @wjs20 . Will look at this in the next days.

Possible bug in fastdfire atom type index mapping

Hi @wjs20, still pending, so sorry. As soon as I get some time in the coming days I will check and add some more tests to shed some light.

Generating cloud of points around a mesh

Thanks a lot @akaszynski for spending some time on the problem and the proposed solution. Indeed, it's a nice approach and probably doable if, instead of using the atom coordinates...

Generating cloud of points around a mesh

I've been playing a bit with @akaszynski code, but I think there is a problem with the warp expansion using the normal. Please see in a more globular set of...