Prop3D
stable
Getting Started
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Meadowlark: Structure Processing Workflow
Features
Prop3D Dataset Organization
Pre-computed Datasets
Installation
Basic Installation
Highly Scalable Data Service (HSDS)
Install Pre-computed Dataset
Build Dataset
AtomicToil: Massively-parallel workflow
Create Custom Featurizers
Create Simple Featurizers
Use Dataset
Simple
PyTorch: Prop3D with Language Models (ESM)
PyTorch: Prop3D with Graphs (ProteinMPNN)
PyTorch: Prop3D with 3D Structures (MinkowsiEngine)
API Reference
Prop3D.common package
Prop3D.generate_data package
Prop3D.parsers package
Prop3D.util package
Prop3D
Index
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Index
A
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C
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D
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E
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F
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G
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I
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J
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M
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N
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O
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P
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R
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S
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T
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U
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W
A
AbstractStructure (class in Prop3D.common.AbstractStructure)
add_features() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
atof() (in module Prop3D.util)
atoms_to_aa() (in module Prop3D.common.ProteinTables)
C
calculate_neighbors() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
check_line() (Prop3D.parsers.json.WebService method)
clean() (Prop3D.parsers.json.WebService method)
copy() (Prop3D.common.AbstractStructure.AbstractStructure method)
D
deep_copy_feature() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
DistributedStructure (class in Prop3D.common.DistributedStructure)
download() (Prop3D.parsers.json.WebService method)
download_file() (in module Prop3D.util)
E
extension() (Prop3D.parsers.json.JSONApi method)
(Prop3D.parsers.json.WebService method)
F
filter_atoms() (Prop3D.common.AbstractStructure.AbstractStructure method)
fix_key() (Prop3D.parsers.json.WebService method)
G
get() (Prop3D.parsers.json.WebService method)
get_atoms() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
get_bfactors() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
get_coord() (Prop3D.common.DistributedStructure.DistributedStructure method)
get_coords() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
get_dihedral_angles() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_elem() (Prop3D.common.DistributedStructure.DistributedStructure method)
get_max_coord() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_max_length() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_mean_coord() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_min_coord() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_residues() (Prop3D.common.DistributedStructure.DistributedStructure method)
get_secondary_structures_groups() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_sequence() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_surface() (Prop3D.common.AbstractStructure.AbstractStructure method)
get_vdw() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
getCenter() (Prop3D.parsers.psize.Psize method)
getCharge() (Prop3D.parsers.psize.Psize method)
getCoarseGridDims() (Prop3D.parsers.psize.Psize method)
getConstant() (Prop3D.parsers.psize.Psize method)
getcwd() (in module Prop3D.util)
getFineGridDims() (Prop3D.parsers.psize.Psize method)
getFineGridPoints() (Prop3D.parsers.psize.Psize method)
getFocus() (Prop3D.parsers.psize.Psize method)
getLength() (Prop3D.parsers.psize.Psize method)
getMax() (Prop3D.parsers.psize.Psize method)
getMin() (Prop3D.parsers.psize.Psize method)
getProcGrid() (Prop3D.parsers.psize.Psize method)
getSmallest() (Prop3D.parsers.psize.Psize method)
I
info() (Prop3D.parsers.json.RealtimeLogger method)
izip_missing() (in module Prop3D.util)
J
JSONApi (class in Prop3D.parsers.json)
M
main() (in module Prop3D.parsers.psize)
module
Prop3D.common
Prop3D.common.AbstractStructure
Prop3D.common.DistributedStructure
Prop3D.common.ProteinTables
Prop3D.generate_data
Prop3D.parsers
Prop3D.parsers.json
Prop3D.parsers.mmtf_spark
Prop3D.parsers.psize
Prop3D.parsers.Rosetta
Prop3D.util
Prop3D.util.dask
N
natural_keys() (in module Prop3D.util)
normalize_features() (Prop3D.common.AbstractStructure.AbstractStructure method)
number_of_lines() (in module Prop3D.util)
O
orient_to_pai() (Prop3D.common.AbstractStructure.AbstractStructure method)
P
parse() (Prop3D.parsers.json.JSONApi method)
(Prop3D.parsers.json.WebService method)
parseInput() (Prop3D.parsers.psize.Psize method)
parseLines() (Prop3D.parsers.psize.Psize method)
parseString() (Prop3D.parsers.psize.Psize method)
PdbToMmtfFull() (in module Prop3D.parsers.mmtf_spark)
printResults() (Prop3D.parsers.psize.Psize method)
Prop3D.common
module
Prop3D.common.AbstractStructure
module
Prop3D.common.DistributedStructure
module
Prop3D.common.ProteinTables
module
Prop3D.generate_data
module
Prop3D.parsers
module
Prop3D.parsers.json
module
Prop3D.parsers.mmtf_spark
module
Prop3D.parsers.psize
module
Prop3D.parsers.Rosetta
module
Prop3D.util
module
Prop3D.util.dask
module
Psize (class in Prop3D.parsers.psize)
R
RealtimeLogger (class in Prop3D.parsers.json)
remove_loops() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
reset_ip() (in module Prop3D.util)
rotate() (Prop3D.common.AbstractStructure.AbstractStructure method)
run_minimize() (in module Prop3D.parsers.Rosetta)
runPsize() (Prop3D.parsers.psize.Psize method)
S
safe_call() (in module Prop3D.util)
safe_remove() (in module Prop3D.util)
save_pdb() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
setAll() (Prop3D.parsers.psize.Psize method)
setCenter() (Prop3D.parsers.psize.Psize method)
setCoarseGridDims() (Prop3D.parsers.psize.Psize method)
setConstant() (Prop3D.parsers.psize.Psize method)
setFineGridDims() (Prop3D.parsers.psize.Psize method)
setFineGridPoints() (Prop3D.parsers.psize.Psize method)
setFocus() (Prop3D.parsers.psize.Psize method)
setLength() (Prop3D.parsers.psize.Psize method)
setProcGrid() (Prop3D.parsers.psize.Psize method)
setSmallest() (Prop3D.parsers.psize.Psize method)
setup_dask() (in module Prop3D.util.dask)
shift_coords() (Prop3D.common.AbstractStructure.AbstractStructure method)
shift_coords_to_origin() (Prop3D.common.AbstractStructure.AbstractStructure method)
should_add_to_store() (Prop3D.parsers.json.WebService method)
silence_stderr() (in module Prop3D.util)
silence_stdout() (in module Prop3D.util)
str2bool() (in module Prop3D.util)
str2boolorlist() (in module Prop3D.util)
SubprocessChain() (in module Prop3D.util)
T
three_to_one() (in module Prop3D.common.ProteinTables)
to_int() (in module Prop3D.common.ProteinTables)
(in module Prop3D.util)
U
unfold_entities() (Prop3D.common.DistributedStructure.DistributedStructure method)
update_bfactors() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
update_coords() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
usage() (in module Prop3D.parsers.psize)
W
WebService (class in Prop3D.parsers.json)
write_features() (Prop3D.common.AbstractStructure.AbstractStructure method)
(Prop3D.common.DistributedStructure.DistributedStructure method)
write_features_to_pdb() (Prop3D.common.AbstractStructure.AbstractStructure method)