From 67e91662c326b772f059fc2f4fcc1a3253e4f955 Mon Sep 17 00:00:00 2001
From: amjjbonvin <alexandre.bonvin@gmail.com>
Date: Mon, 6 Dec 2021 13:38:26 +0100
Subject: [PATCH] Added check to make sure the seed file is present before
 reading. If not simply use the defined seed

---
 src/haddock/modules/refinement/emref/cns/emref.cns     | 7 ++++++-
 src/haddock/modules/refinement/flexref/cns/flexref.cns | 7 ++++++-
 src/haddock/modules/refinement/mdref/cns/mdref.cns     | 7 ++++++-
 3 files changed, 18 insertions(+), 3 deletions(-)

diff --git a/src/haddock/modules/refinement/emref/cns/emref.cns b/src/haddock/modules/refinement/emref/cns/emref.cns
index 6a52a41d4..a9dc26afc 100644
--- a/src/haddock/modules/refinement/emref/cns/emref.cns
+++ b/src/haddock/modules/refinement/emref/cns/emref.cns
@@ -322,7 +322,12 @@ end if
 
 if ($Data.noecv eq true) then
     evaluate ($fileseed= $input_pdb_filename_1 - ".pdb" + ".seed")
-    @@$fileseed (seed=$seed;npart=$npart )
+    fileexist $fileseed end
+    if ($result eq true) then
+        @@$fileseed (seed=$seed;npart=$npart )
+    else
+        evaluate ($seed = $count*$Saprotocol.iniseed)
+    end if
     evaluate ($fileseed=$output_pdb_filename - ".pdb" + ".seed")
     set display=$fileseed end
     display module(seed;npart)
diff --git a/src/haddock/modules/refinement/flexref/cns/flexref.cns b/src/haddock/modules/refinement/flexref/cns/flexref.cns
index fafca21c3..330354367 100644
--- a/src/haddock/modules/refinement/flexref/cns/flexref.cns
+++ b/src/haddock/modules/refinement/flexref/cns/flexref.cns
@@ -390,7 +390,12 @@ end if
 
 if ($Data.noecv eq true) then
     evaluate ($fileseed= $input_pdb_filename_1 - ".pdb" + ".seed")
-    @@$fileseed (seed=$seed;npart=$npart )
+    fileexist $fileseed end
+    if ($result eq true) then
+        @@$fileseed (seed=$seed;npart=$npart )
+    else
+        evaluate ($seed = $count*$Saprotocol.iniseed)
+    end if
     evaluate ($fileseed=$output_pdb_filename - ".pdb" + ".seed")
     set display=$fileseed end
     display module(seed;npart)
diff --git a/src/haddock/modules/refinement/mdref/cns/mdref.cns b/src/haddock/modules/refinement/mdref/cns/mdref.cns
index 07113fe2c..d88229ef1 100644
--- a/src/haddock/modules/refinement/mdref/cns/mdref.cns
+++ b/src/haddock/modules/refinement/mdref/cns/mdref.cns
@@ -340,7 +340,12 @@ end if
 
 if ($Data.noecv eq true) then
     evaluate ($fileseed= $input_pdb_filename_1 - ".pdb" + ".seed")
-    @@$fileseed (seed=$seed;npart=$npart )
+    fileexist $fileseed end
+    if ($result eq true) then
+        @@$fileseed (seed=$seed;npart=$npart )
+    else
+        evaluate ($seed = $count*$Saprotocol.iniseed)
+    end if
     evaluate ($fileseed=$output_pdb_filename - ".pdb" + ".seed")
     set display=$fileseed end
     display module(seed;npart)