https://github.com/astrazeneca/peptide-tools
Collection of tools to calculate properties of natural or synthetic peptides and proteins.
Science Score: 26.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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○Academic publication links
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○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (4.9%) to scientific vocabulary
Repository
Collection of tools to calculate properties of natural or synthetic peptides and proteins.
Basic Info
Statistics
- Stars: 41
- Watchers: 2
- Forks: 7
- Open Issues: 1
- Releases: 10
Metadata Files
README.md
peptide-tools-refactor
OVERVIEW Set of programs to calcaulte phys-chem properties of synthetic peptides and proteins: isoelectic point and extinction coefficients. In total there are 5 scripts/programs there, each can serve as stand alone:
1) pIChemiSt
program to calcualte isoelectric point of natural and modified peptides.
2) smi2scrambledfasta (depends on 1)
program to generate the scrambled FASTA sequence from Smiles.
3) pI_fasta (depends on 2)
program to calcualte isoelecric point using FASTA sequence as an input.
4) extn_coeff_fasta (depends on 2)
program to calculate extinction coefficients.
5) peptide_tools_master (depends on 1,2,3,4)
wrapper script for all the programs above. Can run for one compound and for batch submissions.
HOW TO RUN & DEPENDENCIES
Check the documentaion for each script.
PLATFORM
Tested on linux CentOS
Owner
- Name: AstraZeneca
- Login: AstraZeneca
- Kind: organization
- Location: Global
- Website: https://www.astrazeneca.com/
- Repositories: 33
- Profile: https://github.com/AstraZeneca
Data and AI: Unlocking new science insights
GitHub Events
Total
- Watch event: 17
- Delete event: 17
- Member event: 1
- Push event: 56
- Pull request event: 2
- Fork event: 1
- Create event: 9
Last Year
- Watch event: 17
- Delete event: 17
- Member event: 1
- Push event: 56
- Pull request event: 2
- Fork event: 1
- Create event: 9
Committers
Last synced: about 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| Gian Marco Ghiandoni | g****i@a****m | 104 |
| Frolov, Andrey | a****v@a****m | 80 |
| frolov-pchem | e****r@i****l | 8 |
| kzjv133 | k****3@s****t | 2 |
Committer Domains (Top 20 + Academic)
Packages
- Total packages: 1
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Total downloads:
- pypi 4,398 last-month
- Total dependent packages: 0
- Total dependent repositories: 0
- Total versions: 2
- Total maintainers: 1
pypi.org: pichemist
Calculates the isoelectric point (pI) of a peptide/protein using the Henderson-Hasselbalch equation with the predicted pKa values of its amino acids.
- Homepage: https://github.com/AstraZeneca/peptide-tools/tree/master/pIChemiSt
- Documentation: https://pichemist.readthedocs.io/
- License: Apache 2.0
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Latest release: 0.2.0
published about 1 year ago
Rankings
Maintainers (1)
Dependencies
- Biopython *
- acdperceptabatch *
- andalltoolsbelow *
- dimorphite_dl_pka *
- extn_coeff_fasta_v2.2 *
- if--use_acdlabsenabled *
- if--use_dimorphiteenabled *
- matplotlib *
- pI_fasta_v1.4 *
- peptide_tools_master_v1.0 *
- python2orlater *
- python3orlater *
- rdkit *
- rdkit_pI_v3.2 *
- rdkit_pIv3.1orlater *
- smi2scrambledfasta_v1.0 *
- matplotlib *