From f3c41dd3e096a498432cfb76139c1c8e81f40650 Mon Sep 17 00:00:00 2001 From: Malgorzata Biczysko Date: Tue, 14 Nov 2023 05:47:25 +0100 Subject: [PATCH] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 0538e5f..53666b8 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ Gradient error analysis from Optimal clustering for quantum refinement of biomol (2023) Theor. Chem. Acc. 142, 100. DOI: [10.1007/s00214-023-03046-0](https://doi.org/10.1007/s00214-023-03046-0) bioRxiv 2022.11.24.517825 -DOI:[10.1101/2022.11.24.517825](doi: https://doi.org/10.1101/2022.11.24.517825) +DOI:[10.1101/2022.11.24.517825](https://doi.org/10.1101/2022.11.24.517825) 1. Atomic model and reflection data files have been obtained from the RCSB PDB Database and then refined using phenix.refine using default settings. The model was next completed by adding hydrogen atoms using the qr.finalise tool that is part of the Q|R software suite.