Fix bugs and recent developments in MDSPACE & MDTOMO #189
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
MohamadHarastani
approved these changes
Oct 16, 2023
| PDB_SOURCE_OBJECT = 1 | ||
| PDB_SOURCE_TRAJECT = 2 | ||
| class FlexProtCA2AA(ProtAnalysis3D): | ||
| """ Protocol to convert at set of carbon-alpha PDBs to all-atom PDBs using a reference all-atom PDB. """ |
There was a problem hiding this comment.
Hello Remi
Out of curiosity, how are you using this function?
| form.addParam('reducedSpace', params.PathParam, label="Provide a txt file of the existing reduced space", condition="loadReducedSpace", | ||
| help="Cloud of point of N dimension constituing a reduced space " | ||
| " obtained by any reduction method. The file is a txt file.", expertLevel=params.LEVEL_ADVANCED) | ||
|
|
||
| form.addParam('method', params.EnumParam, label="Reduction method", default=REDUCE_METHOD_PCA, |
There was a problem hiding this comment.
Missing "Dimensionality" before "Reduction method"
| group.addParam('freeEnergySize', IntParam, default=100, | ||
| label='Sampling size' ) | ||
| group.addParam('freeEnergySize', IntParam, default=50, | ||
| label='Resolution (pix)' ) |
There was a problem hiding this comment.
Resolution is already an abused term, maybe we replace it by "window size (pix)"? otherwise, add some description in help
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Some fixes and recent developments