Hi Ritesh,
Assuming you want the PDB files to end up in one object and they are
numbered like file0.pdb .. file1000.pdb
for i in range(0,1000,100): cmd.load("file%d.pdb"%i,"traj")
You can set the step size from 100 to 50, 25, ...
One thing that you may want to ask yourself is whether you need al
Dear All,
I have around 1000 PDB files generated from the MD simulation. Each file is
around 32 MB in size.
What I am trying to do:
a) Load every 100th pdb file automatically and analyze the data.
b) I am also trying to customize the load list, for example from 100 to say
50 or 25 or 10 like th
there is a "join_states" command in PSICO.
http://pymolwiki.org/index.php/psico
Cheers,
Thomas
On 16 Jan 2014, at 11:15, Jason Vertrees wrote:
> Jed,
>
> Yes, the create command should more intelligently handle the wildcard. In
> fact, I started out trying the same thing you did. I'll add
Jed,
Yes, the create command should more intelligently handle the wildcard. In
fact, I started out trying the same thing you did. I'll add this as a
feature request.
Cheers,
-- Jason
On Thu, Jan 16, 2014 at 10:06 AM, Jed Goldstone wrote:
> Thanks! That works. I kept trying to avoid writing
Thanks! That works. I kept trying to avoid writing a script, figuring
that it should just be an option in 'create'. That is, if the selection
old_obj has a wild card, then
create new_obj, old_obj*,1,-1
should work. Clearly not; could this be a future feature?
Jed
On 1/16/2014 10:56 AM, Jason
Hi Jed,
On Thu, 2014-01-16 10:28 EST, Jed Goldstone wrote:
> I know this seems silly, but I can't figure out how to combine multiple
> separate objects into one multistate object. I have a set of Modeler
> models loaded from a single pdb file, automagically separated into
> separate objects
Jed,
You are correct in that you should be using the "create" command:
# creates new_obj from old_obj1 by copying old_obj1
# in state 1 to new_obj in state 1
create new_obj, old_obj1, 1, 1
# creates new_obj from old_obj2 by copying old_obj2
# in state 1 to new_obj in state 2
create new_obj, ol
I know this seems silly, but I can't figure out how to combine multiple
separate objects into one multistate object. I have a set of Modeler
models loaded from a single pdb file, automagically separated into
separate objects that have been aligned, and I want to combine them into
one object in
