Skip to content

When the residue index does not start from 1 #7

@vuqv

Description

@vuqv

The current Gaussian_linking_number.jl script works with an AF structure where the residue index starts from 1. However, for crystal structure, the starting residue is often not 1.
Function get_contacts is fine since it uses the residue indices but function GLN only takes CA coordinates, it doesn't care about residue indices but it also takes the contacts list as input. This causes a mismatch between CA coordinate and contact.

Metadata

Metadata

Assignees

Labels

No labels
No labels

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions