From fb543f5b5b1d4cbea53ef23640a3547bd85c6a24 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Wed, 18 Sep 2024 11:12:58 +0200 Subject: [PATCH] add SOL to water --- prody/atomic/flags.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/prody/atomic/flags.py b/prody/atomic/flags.py index 2735bdb37..c3fcc2316 100644 --- a/prody/atomic/flags.py +++ b/prody/atomic/flags.py @@ -148,7 +148,7 @@ 'pyrimidine': set(['CYT', 'C', 'THY', 'T', 'URA', 'U']), 'water': set(['HOH', 'DOD', 'WAT', 'TIP3', 'H2O', 'OH2', 'TIP', 'TIP2', - 'TIP4', 'SPC']), + 'TIP4', 'SPC', 'SOL']), 'ion': set(['AL', 'BA', 'CA', 'CD', 'CL', 'CO', 'CS', 'CU', 'CU1', 'CUA', 'HG', 'IN', 'IOD', 'K', 'MG', 'MN', 'MN3', 'NA', 'PB', 'PT', 'RB',