haddock3
A brief introduction to HADDOCK3
Installation
Usage
Workflow Examples
Advanced features
Command-line interfaces
Modules
Testing
Contributing to HADDOCK3
HADDOCK3 Architecture
HADDOCK3 Development Guide
Python Environment Setup for HADDOCK3
CNS Installation
Citing
Library Reference
Core Reference
Mandatory Parameters
Libs Reference
Subpackages
Submodules
haddock.libs.libaa2cg module
libalign: sequence and structural alignments
haddock.libs.libcapri module
libcli: functions helping clients
libclust: functions related to clustering
libcns: creating CNS files
haddock.libs.libfcc module
libfunc: functional-programming helping tools
haddock.libs.libgrid module
libhpc: HPC execution functions
libinteractive: functions related to interactive tasks
libio: I/O helping functions
haddock.libs.libligand module
liblog: Logging helping functions
libmath: Math helping functions
libmpi: MPI execution functions
haddock.libs.libnotebooks module
libontology: module communication
libparallel: multiprocessing helping functions
libpdb: PDB helping functions
libplots: plotting functionalities
libprodigy: classes and functions related to the use of prodigy
librestraints: functions related to restraints
libstructure: functions related to structures
libsubprocess: subprocess execution functions
libtimer: timing functions
libutil: utility functions
libworkflow: workflow functions
Module contents
Gear Reference
FCC Reference
haddock3
Library Reference
Libs Reference
haddock.libs.libnotebooks module
View page source
haddock.libs.libnotebooks module
Helper functions for HADDOCK3 notebooks
haddock.libs.libnotebooks.
align_full
(
pdb_path1
,
pdb_path2
,
chains
=
['A',
'B']
,
width
=
800
,
height
=
600
,
model1_colors
=
{'A':
'red',
'B':
'orange',
'C':
'pink'}
,
model2_colors
=
{'A':
'blue',
'B':
'green',
'C':
'lime'}
,
atom_types
=
['P',
'C1',
'CA']
,
show_labels
=
False
,
show_per_chain_rmsd
=
True
)
[source]
.
haddock.libs.libnotebooks.
load_pdb_file
(
file_path
)
[source]
.
haddock.libs.libnotebooks.
pdb_string_to_structure
(
pdb_string
,
structure_id
)
[source]
.
haddock.libs.libnotebooks.
structure_to_pdb_string
(
structure
)
[source]
.