File: cookbook.md

package info (click to toggle)
pdb-tools 2.5.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 1,636 kB
  • sloc: python: 9,220; makefile: 13
file content (10 lines) | stat: -rw-r--r-- 307 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
 
---
layout: default
---

* Removing hydrogens, renaming `HIP` to `HIS`, and renumbering atoms, for all PDBs from a folder to a new folder:

  ```bash
  mkdir folder_new
  for i in folder/*pdb; do pdb_delelem -H $i | pdb_rplresname -HIP:HIS | pdb_reatom -1 | pdb_tidy > folder_new/$(basename $i); done
  ```