Olamide Isreal
f971fd0e21
- Nextflow pipeline using chai1 Docker image from Harbor - S3-based input/output paths (s3://omic/eureka/chai-lab/) - GPU-accelerated protein folding with MSA support Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
11 lines
350 B
Plaintext
Executable File
11 lines
350 B
Plaintext
Executable File
# Restraints for insulin complex based on known interaction sites
|
|
# Format: chain1 resid1 chain2 resid2 distance_lower distance_upper confidence
|
|
# Insulin A chain to B chain contacts (disulfide bonds)
|
|
A 7 B 7 3.0 5.0 0.9
|
|
A 20 B 19 3.0 5.0 0.9
|
|
|
|
# Insulin (A+B) to receptor contacts
|
|
A 12 C 155 4.0 8.0 0.8
|
|
B 24 C 210 4.0 8.0 0.8
|
|
B 25 C 215 4.0 8.0 0.8
|