uibcdf/molsysmt issues and pull requests

#102 - Make biossemblies and merge fixed. Function names changed.

Pull Request - State: closed - Opened by dprada almost 2 years ago - 1 comment

#102 - Make biossemblies and merge fixed. Function names changed.

Pull Request - State: closed - Opened by dprada almost 2 years ago - 1 comment

#101 - Conversion from multiple items fixed

Pull Request - State: closed - Opened by dprada almost 2 years ago

#101 - Conversion from multiple items fixed

Pull Request - State: closed - Opened by dprada almost 2 years ago

#100 - Bug fixed in molsysmt.MolSys iterators

Pull Request - State: closed - Opened by dprada almost 2 years ago

#100 - Bug fixed in molsysmt.MolSys iterators

Pull Request - State: closed - Opened by dprada almost 2 years ago

#99 - Bugs fixed

Pull Request - State: closed - Opened by dprada about 2 years ago

#99 - Bugs fixed

Pull Request - State: closed - Opened by dprada about 2 years ago

#98 - PSF, CRD and DCD files included

Pull Request - State: closed - Opened by dprada about 2 years ago

#98 - PSF, CRD and DCD files included

Pull Request - State: closed - Opened by dprada about 2 years ago

#97 - Iterators and more.

Pull Request - State: closed - Opened by dprada about 2 years ago

#97 - Iterators and more.

Pull Request - State: closed - Opened by dprada about 2 years ago

#96 - Adding new documentation

Pull Request - State: closed - Opened by dprada over 2 years ago

#96 - Adding new documentation

Pull Request - State: closed - Opened by dprada over 2 years ago

#95 - Is there a way to add a color bar to an nglview.NGLWidget?

Issue - State: open - Opened by dprada over 2 years ago

#95 - Is there a way to add a color bar to an nglview.NGLWidget?

Issue - State: open - Opened by dprada over 2 years ago

#94 - Documentation in process

Pull Request - State: closed - Opened by dprada over 2 years ago

#94 - Documentation in process

Pull Request - State: closed - Opened by dprada over 2 years ago

#93 - Documentation section User Guide>Tools>Basic first version completed

Pull Request - State: closed - Opened by dprada over 2 years ago

#93 - Documentation section User Guide>Tools>Basic first version completed

Pull Request - State: closed - Opened by dprada over 2 years ago

#92 - Basic documentation updated

Pull Request - State: closed - Opened by dprada over 2 years ago

#92 - Basic documentation updated

Pull Request - State: closed - Opened by dprada over 2 years ago

#91 - Improving documentation

Pull Request - State: closed - Opened by dprada over 2 years ago

#91 - Improving documentation

Pull Request - State: closed - Opened by dprada over 2 years ago

#90 - Biological assembly

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#90 - Biological assembly

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#89 - Bug fixed in item.molsysmt_Topology.get

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: bug

#89 - Bug fixed in item.molsysmt_Topology.get

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: bug

#88 - Working with b_factors, charges and alternate locations.

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#88 - Working with b_factors, charges and alternate locations.

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#87 - Removing check

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#87 - Removing check

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#86 - Iterator to work with trajectories

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 2 comments

#86 - Iterator to work with trajectories

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 2 comments

#85 - Convert mmtf files to mdtraj

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 1 comment

#85 - Convert mmtf files to mdtraj

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 1 comment

#84 - The argument 'check' needs to be removed (now we have @digest).

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#84 - The argument 'check' needs to be removed (now we have @digest).

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#83 - All comparisons 'is "all"' were replaced by a sentence using an auxiliary method 'is_all()'

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#83 - All comparisons 'is "all"' were replaced by a sentence using an auxiliary method 'is_all()'

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#82 - Documentation restructuration

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: documentation

#82 - Documentation restructuration

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: documentation

#81 - Is the input argument 'caller' in private exception classes avoidable?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#81 - Is the input argument 'caller' in private exception classes avoidable?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#80 - Do we need a private method to compare selections, indices, and structure_indices with 'all'?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#80 - Do we need a private method to compare selections, indices, and structure_indices with 'all'?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#79 - Exceptions report more information

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#79 - Exceptions report more information

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#78 - Fixed comparison issuing warning with numpy arrays

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 1 comment

#78 - Fixed comparison issuing warning with numpy arrays

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 1 comment

#77 - Forms file.trjpk and molsysmt.TrajectoryDict added to pass all tests

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: tests

#77 - Forms file.trjpk and molsysmt.TrajectoryDict added to pass all tests

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: tests

#76 - New class iterator in the module `structure` to work with trajectories.

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, TODO

#76 - New class iterator in the module `structure` to work with trajectories.

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, TODO

#75 - Documentation restructuration

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, documentation

#75 - Documentation restructuration

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, documentation

#74 - Adding functions to get and add missing bonds

Issue - State: open - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement

#74 - Adding functions to get and add missing bonds

Issue - State: open - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement

#73 - Adding demo file from NGLView

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment

#73 - Adding demo file from NGLView

Pull Request - State: closed - Opened by dprada over 2 years ago - 1 comment

#72 - Box digestion functions

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#72 - Box digestion functions

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#71 - Digestion decorator

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 3 comments
Labels: enhancement

#71 - Digestion decorator

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago - 3 comments
Labels: enhancement

#70 - Moved old files to another repo

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#70 - Moved old files to another repo

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#69 - Adding biopython to production requirements

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: bug

#69 - Adding biopython to production requirements

Pull Request - State: closed - Opened by dprada over 2 years ago
Labels: bug

#68 - Small changes. Fixes #56 and #57

Pull Request - State: closed - Opened by dprada over 2 years ago - 2 comments
Labels: enhancement

#68 - Small changes. Fixes #56 and #57

Pull Request - State: closed - Opened by dprada over 2 years ago - 2 comments
Labels: enhancement

#66 - Comparing a selection (taking the value of a numpy ndarray) with 'all'

Issue - State: closed - Opened by dprada over 2 years ago
Labels: question, future warning

#66 - Comparing a selection (taking the value of a numpy ndarray) with 'all'

Issue - State: closed - Opened by dprada over 2 years ago
Labels: question, future warning

#65 - Function to convert mmtf files to mdtraj needs to be reviewed.

Issue - State: open - Opened by dprada over 2 years ago
Labels: enhancement, question

#65 - Function to convert mmtf files to mdtraj needs to be reviewed.

Issue - State: open - Opened by dprada over 2 years ago
Labels: enhancement, question

#64 - Do we need a MolecularSystemNeeded error?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#64 - Do we need a MolecularSystemNeeded error?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#63 - Can the omnipresent argument "check" be avoided?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, question

#63 - Can the omnipresent argument "check" be avoided?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement, question

#62 - Are former auxiliary functions in private module `lists_and_tuples` necessary?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#62 - Are former auxiliary functions in private module `lists_and_tuples` necessary?

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: question

#61 - Exceptions reporting more information

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement

#61 - Exceptions reporting more information

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: enhancement

#60 - Some digestion methods need to be implemented

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: bug

#60 - Some digestion methods need to be implemented

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: bug

#59 - Can digest_box_vectors, digest_box_lengths, digest_box_angles be merged in a single method?

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement, question

#59 - Can digest_box_vectors, digest_box_lengths, digest_box_angles be merged in a single method?

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement, question

#58 - Implementing or removing digest_box in digest/box.py

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: bug

#58 - Implementing or removing digest_box in digest/box.py

Issue - State: closed - Opened by dprada over 2 years ago - 1 comment
Labels: bug

#57 - Removing todo.txt

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#57 - Removing todo.txt

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#56 - Removing Untitled.ipynb

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#56 - Removing Untitled.ipynb

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#55 - Learn how projects work in GitHub

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#55 - Learn how projects work in GitHub

Issue - State: closed - Opened by dprada over 2 years ago
Labels: enhancement

#54 - Reformatted api_forms files

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#54 - Reformatted api_forms files

Pull Request - State: closed - Opened by Daniel-Ibarrola over 2 years ago

#53 - Refact 2

Pull Request - State: closed - Opened by dprada over 2 years ago

#53 - Refact 2

Pull Request - State: closed - Opened by dprada over 2 years ago

#52 - Big Refactorization

Pull Request - State: closed - Opened by dprada almost 3 years ago

#52 - Big Refactorization

Pull Request - State: closed - Opened by dprada almost 3 years ago

GitHub / uibcdf/molsysmt issues and pull requests