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Ruibin-Liu
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MolDF
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
https://moldf.readthedocs.io/en/latest/
MIT License
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add support for decompressing files based on filename extension before opening in `read_pdb`
#34
kamurani
opened
1 month ago
3
Compressed files such as `.gz` should be supported
#33
kamurani
opened
1 month ago
1
`read_pdb`: Trailing whitespace is not removed in column `residue_name`
#32
kamurani
opened
4 months ago
2
[pre-commit.ci] pre-commit autoupdate
#31
pre-commit-ci[bot]
opened
7 months ago
0
Update read_pdb.py
#30
jihunni
closed
7 months ago
2
[pre-commit.ci] pre-commit autoupdate
#29
pre-commit-ci[bot]
closed
8 months ago
0
[pre-commit.ci] pre-commit autoupdate
#28
pre-commit-ci[bot]
closed
8 months ago
0
[pre-commit.ci] pre-commit autoupdate
#27
pre-commit-ci[bot]
closed
8 months ago
0
[pre-commit.ci] pre-commit autoupdate
#26
pre-commit-ci[bot]
closed
9 months ago
0
[pre-commit.ci] pre-commit autoupdate
#25
pre-commit-ci[bot]
closed
10 months ago
0
[pre-commit.ci] pre-commit autoupdate
#24
pre-commit-ci[bot]
closed
10 months ago
0
[pre-commit.ci] pre-commit autoupdate
#23
pre-commit-ci[bot]
closed
11 months ago
0
Bonding
#22
Ruibin-Liu
closed
11 months ago
0
Renamed to MolDF/moldf
#21
Ruibin-Liu
closed
11 months ago
0
Introducing `.jcsv` format as a uniform file format
#20
Ruibin-Liu
closed
11 months ago
1
Supports multiple structures in `read_mol2`
#19
Ruibin-Liu
opened
11 months ago
0
Add `read_xyz` and `write_xyz` functions
#18
Ruibin-Liu
opened
11 months ago
0
docs updated
#17
Ruibin-Liu
closed
12 months ago
0
[pre-commit.ci] pre-commit autoupdate
#16
pre-commit-ci[bot]
closed
12 months ago
0
added HETATM
#15
Ruibin-Liu
closed
1 year ago
0
Need to support multiple models in PDB
#14
Ruibin-Liu
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#13
pre-commit-ci[bot]
closed
1 year ago
0
support reading from PDB
#12
Ruibin-Liu
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#11
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#10
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#9
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#8
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#7
pre-commit-ci[bot]
closed
1 year ago
0
Add write_pdbx doc
#6
Ruibin-Liu
closed
1 year ago
0
Write to PDBx file
#5
Ruibin-Liu
closed
1 year ago
0
version 0.2.2
#4
Ruibin-Liu
closed
1 year ago
0
Support ligands
#3
Ruibin-Liu
closed
1 year ago
0
Roadmap
#2
Ruibin-Liu
opened
1 year ago
4
[pre-commit.ci] pre-commit autoupdate
#1
pre-commit-ci[bot]
closed
1 year ago
0