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script_vmd_Spezia.py
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#!/usr/bin/env python
# coding: utf-8
import os
os.getcwd()
os.chdir('/home/myuser/.vnc/')
os.getcwd()
from vmd import VMDevaltcl
countcolor="white"
# LENGTH=128
# import socket
# import threading, time
# import sys
# sys.setcheckinterval(1)
# class ClientThread(threading.Thread):
# def __init__(self, ip, port, clientsocket):
# threading.Thread.__init__(self)
# self.ip = ip
# self.port = port
# self.clientsocket = clientsocket
# print("init : [+] Nouveau thread pour %s %s" % (self.ip, self.port, ))
# def run(self):
# global rlock
# print("run : Connection from client %s %s" % (self.ip, self.port, ))
# while True:
# time.sleep(0.1)
# sys.stdout.flush()
# r = self.clientsocket.recv(LENGTH)
# # rlock.acquire(blocking=0)
# strrecv=r.decode("UTF-8")
# print('run : Message : |'+ strrecv+'|')
# try:
# exec(strrecv)
# except Exception:
# print "can't exec "+strrecv
# strsocket= 'Message from server : received '+strrecv
# self.clientsocket.send(strsocket)
# rlock.release()
# if ( strrecv == "closesocket" ):
# self.clientsocket.close()
# tcpsock.close()
# print('Client deconnected...')
# break
# tcpsock = socket.socket(socket.AF_INET, socket.SOCK_STREAM)
# tcpsock.setsockopt(socket.SOL_SOCKET, socket.SO_REUSEADDR, 1)
# tcpsock.bind(("",15555))
# tcpsock.listen(1)
# (clientsocket, (ip, port)) = tcpsock.accept()
# rlock=threading.RLock()
# newthread = ClientThread(ip, port, clientsocket)
# newthread.start()
VMDevaltcl("source script_vmd_Spezia.vmd")
# VMDevaltcl('source do_bubble.tcl')
# VMDevaltcl('do_bubble')
import trans
# trans.rotate('x',90)
# use android vmd
VMDevaltcl("mobile mode move")
# # en secondes
# AnimateSpeed=0.5
# from Molecule import *
import molecule, animate, display, graphics, atomsel, vmdcallbacks, axes
axes.set_location(axes.OFF)
#axes.set_location(axes.ORIGIN)
def ini():
mol0=molecule.listall()[0]
nframe=molecule.numframes(mol0)
trans.resetview(mol0)
#name0=molecule.name(mol0)
all0=atomsel.atomsel("all")
(min0,max0)=all0.minmax()
print 'molecule min/max :',min0,max0
#coords=((min0[0]+max0[0])/2,min0[1]+(max0[1]-min0[1])/4,(min0[2]+max0[2])/2)
coords=((min0[0]+max0[0])/2,(min0[1]+max0[1])/2-(max0[1]-min0[1]),(max0[2]+min0[2])/2)
print "coords : ",coords
frame=molecule.get_frame(mol0)
print("frame = ",frame)
ListG=graphics.listall(mol0)
if( len(ListG) > 1):
idcolor=ListG[0]
idtext=ListG[1]
graphics.delete(mol0,idcolor)
graphics.delete(mol0,idtext)
graphics.color(mol0,countcolor)
idtext=graphics.text(mol0,coords,str(frame),size=2.0)
#graphics.delete(mol0,idtext)
selN=atomsel.atomsel("name N and user > 0")
coordsNold=(selN.get('x')[0],selN.get('y')[0],selN.get('z')[0])
#print 'initial coords :',coordsNold
coords=(coordsNold[0],coordsNold[1]-(max0[1]-min0[1]),coordsNold[2])
#print "coords 1 : ",coords
axes.set_location(axes.LOWERLEFT)
#rans.resetview(mol0)
#trans.translate(coordsNold[0],coordsNold[1],coordsNold[2])
scaleN=trans.get_scale(mol0)*1.4
trans.set_scale(mol0,scaleN)
trans.translate(-coordsNold[0]*scaleN,
-coordsNold[1]*scaleN,
-coordsNold[2]*scaleN)
return (mol0, nframe, selN, all0, min0,max0, frame, coords, coordsNold, scaleN)
(mol0, nframe, selN, all0, min0,max0, frame, coords, coordsNold, scaleN) = ini()
#VMDevaltcl("save_viewpoint; puts $viewpoints(0)")
#VMDevaltcl("puts $viewpoints(1)")
display.update()
import time
import os
#mytimestart=os.getenv('mytimestart')
# t = time.strftime("%m%d%H%M",time.localtime())
# while ( int(t) < int(mytimestart) ):
# time.sleep(1)
# t = time.strftime("%m%d%H%M",time.localtime())
def callback_frame(mol0,frame):
global coordsNold
ListG=graphics.listall(mol0)
if( len(ListG) > 0):
idtext=ListG[1]
graphics.delete(mol0,idtext)
#print("frame = ",frame)
#graphics.color(mol0,'white')
#(min1,max1)=selN.minmax()
#coords=((min1[0]+max1[0])/2,min1[1]+(max1[1]-min1[1])/4,(min1[2]+max1[2])/2)
#coords=((min1[0]+max1[0])/2,(min1[1]+max1[1])/2,min1[2]+(max1[2]-min1[2])/8)
#print 'frame min/max :',min1,max1
coordsN=(selN.get('x')[0],selN.get('y')[0],selN.get('z')[0])
coords=(coordsN[0],coordsN[1]-(max0[1]-min0[1]),coordsN[2])
#print "coords 1 : ",coords
idtext=graphics.text(mol0,coords,str(frame),size=2.0)
#time.sleep(AnimateSpeed)
#trans.resetview(mol0)
#print frame,": ",coordsN
trans.translate((coordsNold[0]-coordsN[0])*scaleN,
(coordsNold[1]-coordsN[1])*scaleN,
(coordsNold[2]-coordsN[2])*scaleN)
#VMDevaltcl("trans origin {"+str(coordsN[0])+" "+str(coordsN[1])+" "+str(coordsN[2])+"}")
#trans.resetview(mol0)
#VMDevaltcl("save_viewpoint; puts $viewpoints(0)")
coordsNold=coordsN
#VMDevaltcl("set move_sel [atomselect 0 \"all\"]; $move_sel move $transformation_mat")
vmdcallbacks.add_callback("frame",callback_frame)
#animate.forward()
# while True:
# r = clientsocket.recv(LENGTH)
# strrecv=r.decode("UTF-8")
# print("run : Reception du messaged: |", strrecv, "|")
# try:
# eval(strrecv)
# except Exception:
# print "can't eval "+strrecv
# strsocket= u'Message from server : received '+strrecv
# clientsocket.send(strsocket)
# if ( strrecv == "closesocket" ):
# clientsocket.close()
# tcpsock.close()
# print("Client deconnecté...")
# break
# class ServerThread(threading.Thread):
# def __init__(self):
# threading.Thread.__init__(self)
# print("Server thread.")
# #while True:
# (clientsocket, (ip, port)) = tcpsock.accept()
# newthread = ClientThread(ip, port, clientsocket)
# newthread.start()
# # break
# def run(self):
# print( "En ecoute...")
# newserverthread = ServerThread()
# newserverthread.start()