if phaser gives error, show the error line

cxx/find-blobs.cc

@@ -344,7 +344,7 @@ vector<Cluster> find_clusters(const string& pdb_filename,
   const clipper::Xmap<float>* xmap = density_map.xmap();
 
   float cut_off = config.sigma_level * map_stddev;
-  printf("Density std.dev: %g, cut-off: %g (%g sigma)\n",
+  printf("Density std.dev: %.3f, cut-off: %.3f e/A^3 (%g sigma)\n",
          map_stddev, cut_off, config.sigma_level);
   vector<Cluster> all_clusters = find_clusters_by_flood_fill(*xmap,
                                                    config.min_volume, cut_off);

main.py

@@ -17,10 +17,11 @@
 from dimple import workflow
 from dimple import coots
 
-__version__ = '2.4.2'
+__version__ = '2.4.3'
 
-# sometimes people have incomplete models in their pdb files
+# sometimes provided models are incomplete, be suspicious above this solvent%
 HIGH_SOLVENT_PCT = 75
+# do not search blobs if the model is too bad
 BAD_FINAL_RFREE = 0.5
 
 def dimple(wf, opt):
@@ -280,6 +281,8 @@ def _refmac_rms_line(data):
 
 def _after_phaser_comments(phaser_job, wf, sg_in):
     phaser_data = phaser_job.data
+    if 'error' in phaser_data:
+        comment("\n" + phaser_data['error'])
     if (phaser_job.exit_status != 0 or
             phaser_data['info'] == 'Sorry - No solution'):
         comment("\nGiving up.")

workflow.py

@@ -350,16 +350,18 @@ def _phaser_parser(job):
     for line in job.out.read_line():
         if line.startswith('*** Phaser Module:'):
             d['info'] = '[%s]' % line[19:70].strip().lower()
-        if line.startswith('   SOLU SET ') and 'LLG=' in line:
+        elif line.startswith('   SOLU SET ') and 'LLG=' in line:
             d['info'] = line[12:].strip()
             if len(d['info']) > 52:
                 d['info'] = d['info'][:50].rsplit(' ', 1)[0] + '...'
-        if line.startswith('   Sorry - No solution'):
+        elif line.startswith('   Sorry - No solution'):
             d['info'] = line.strip()
             if 'No solution with all components' in line:
                 d['partial_solution'] = 'yes'
-        if line.startswith('   SOLU SPAC '):
+        elif line.startswith('   SOLU SPAC '):
             d['SG'] = line[13:].strip()
+        elif ' ERROR:' in line:
+            d['error'] = line.strip()
     return "%-48s" % d.get('info', '')
 
 def _truncate_parser(job):