fluct_plot for multimodel pdb reads the first model

todo

diff --git a/TODO b/TODO
index 657c019..91e3c61 100644 (file)
--- a/TODO
+++ b/TODO
@@ -8,6 +8,7 @@ add javascript instead of separate forms
 # done
 
 check input pdb for: 
+#        missing residues (chain breaks) - done
        unknown residues, 
        max length (1000), 
        max number of dissulfides (30),
@@ -27,6 +28,8 @@ homology restraints input
 
 other restrains input
 
+SAXS input
+
 automatic secondary structure restrains (psipred)
 
 MREMD - add cluster parameters, change after run and rerun only cluster analysis
@@ -43,15 +46,15 @@ automatic rm of old jobs ?
 
 ### NAR requirements:
 
-include a simple mechanism to try out sample data provided by the authors,
-for example, a button for automatic loading of the data. Sample data must be
-accessible to users so that they can confirm data formatting requirements
+# include a simple mechanism to try out sample data provided by the authors,
+# for example, a button for automatic loading of the data. Sample data must be
+# accessible to users so that they can confirm data formatting requirements
 # OK
 
-contain help pages or a tutorial with links to sample output that performs
-interactively in the same way as real output. The help pages must include
-information on how to interpret the results returned by the web server
-# ?
+# contain help pages or a tutorial with links to sample output that performs
+# interactively in the same way as real output. The help pages must include
+# information on how to interpret the results returned by the web server
+# OK
 
 # be primarily web-based and viewable on the website. Use of browser plugins
 # for data visualization is encouraged. However, use of Flash plugins is
@@ -70,6 +73,8 @@ information on how to interpret the results returned by the web server
 # OK link uses task.id and user.id
 # http://ha1.chem.univ.gda.pl:8001/details1/19da81cb0ad5492dac8e4eaefd28949e/942/
 
+links are not save - lazy user can read other lazy users jobs ?
+
 # keep every user’s submitted data private and not viewable by anyone other
 # than the user or those given permission by the user
 #

diff --git a/files/fluct_plot.py b/files/fluct_plot.py
index d228324..7719b2f 100755 (executable)
--- a/files/fluct_plot.py
+++ b/files/fluct_plot.py
@@ -61,6 +61,8 @@ if os.path.exists('plik.pdb'):
          newchain=False
       if line[0:3]=='TER':
         newchain=True
+      if line[0:3]=='END':
+        break