Hi,
Hear, hear! :)
A suggestion might be to pass them through the PRODRG server
(http://davapc1.bioch.dundee.ac.uk/prodrg/) which can be automated and
is capable of providing an energy minimized structure (do mind the
hydrogens/charges/valencies). It would also give you the opportunity
to provide
I regret I didn't follow the normal mode of operations...
Search the web, pymol wiki, .pymolrc
On Thu, 4 Sep 2008, David Shin wrote:
Hi -
Basically I have a bunch of .pdb's with the same name, but with different
coordinates, that all reside in different directories.
I want to put a script
DimitryASuplatov,
I have 21 pdb files in my folder. I wrote a small script to load them
all at once to the Pymol
[...snip...]
I have found a pymol wiki article about CEalign
(http://www.pymolwiki.org/index.php/Cealign) - structure alignment
procedure that is claimed to be better than align
On 4 Sep, Tsjerk Wassenaar wrote:
A suggestion might be to pass them through the PRODRG server
(http://davapc1.bioch.dundee.ac.uk/prodrg/) which can be automated and
is capable of providing an energy minimized structure (do mind the
hydrogens/charges/valencies). It would also give you the
For the sake of completeness, let's make sure some answers post to the list:
# with pymol in your path, you can issue from the command-shell (all one
line...)
pymol mol1.pdb mol2.pdb mol3.pdb -d 'as ribbon;spectrum count;set seq_view'
# or if you have a command script, you can do something
Hi All-
would anybody know by which calculations pymol generates the proteins'
electrostatic maps? Is there a place where I can read about it? I tried
the manual and the wikipymol and could not find it.
Thanks,
Juliana
