minor corrections

Author: jkleinj

Docker/Dockerfile

@@ -57,3 +57,4 @@ EXPOSE 3838
 
 ## Run Shiny app
 CMD ["R", "-e", "shiny::runApp('/app', host='0.0.0.0', port=3838)"]
+

Docker/build_DockerImage_onLinux.bash

@@ -1,6 +1,6 @@
 #! /bin/bash
 
 ## on Linux
-docker build -t popscomp .
+docker build --no-cache -t popscomp .
 docker run  -p 3838:3838 popscomp
 

POPSC/src/topol.c

@@ -717,7 +717,8 @@ int calpha_distances(Arg *arg, Str *pdb, Topol *topol, ConstantSasa *res_sasa) {
     			}
 			}
 
-			soft_distance_norm = soft_distance *  (sqrt(r_CA1 * r_CA2) / 4.);
+			/* the mean radius across 20 amino acids is 4.35 */
+			soft_distance_norm = soft_distance *  (sqrt(r_CA1 * r_CA2) / 4.35);
         	topol->distMatCA[n_cai][n_caj] = soft_distance_norm;
 
         	++n_caj;

POPSR/inst/popsr/app.R

@@ -325,11 +325,7 @@ ui <- fluidPage(
           p("The PDB file could not be read, most possibly because something went wrong during up/down-loading.
             If you used the 'Enter PDB entry' field, check your internet connection."
           )
-        ),
-			tabPanel("Readme",
-			    h3("Readme (C code)"),
-			    textOutput("readme")
-			  )
+        )
       )
     )
   )