Changes between Version 64 and Version 65 of requests

Timestamp:

Oct 14, 2009, 4:49:05 PM (17 years ago)

Author:

goddard

Comment:

--

requests

@@ -10 +10 @@
 Currently they include only those collected by Tom Goddard (focus on
 density maps, molecular assemblies, electron microscopy).
+</p>
+
+<p>
+222.
+<b>Allow structure minimization to calculate only with selected residues</b><br>
+Tom Goddard<br>
+October 13, 2009<br>
+Currently the structure minimization tool can hold fixed unselected atoms
+but it still uses those atoms in computing forces.  This can be extremely
+slow for large molecules (1 step per second for 5000 atoms).  For simple
+loop minimizations only a local set of residues need be considered making
+the calculation extremely fast.  I've tried this by deleting all the atoms
+that aren't needed for the minimization, minimizing (100 steps per second),
+then copying coordinates back to the full structure -- quite tedious.
+</p>
+
+<p>
+221.
+<b>Make command to copy a molecule</b><br>
+Tom Goddard<br>
+October 13, 2009<br>
+Have the mcopy command without a second argument make a new copy of
+the specified molecule(s).
+It's a pain to have to save a molecule to a file and reload it to make
+a copy.
 </p>