#为molecule_number为0的文件添加一个绘图组,默认绘图组rep_number为0,新建的为1。moladdrep0# 删除rep_number为1的绘图组在molecule_number为0的文件moldelrep10# rep_number为1的绘图组、molecule_number为0的文件、原子选择命令为resname MOLmolmodselect10resname MOL 着色方式、绘制风格、材料 # rep_number...
mol modmaterial 0 top CPK 将top分子的0号representation改成CPK显示方式 mol modselect 0 top {index3}将top分子0号representation选择内容为index 3 mol addrep0 给0号分子新增一个representation mol delrep 1top 删掉top分子1号representation mol deletetop 删掉top分子 常用命令modselect的语法 modselectrep_id...
写个VMD tcl脚本，循环每个分子，里面用atomselect选中相应分子成为对象，假设叫atomselect0，然后atomsele ...
1. In the Graphics Representations window, click Create Rep.2. In the Selected Atoms text entry,...
label delete Atoms all删除所有原子的label,all也可以是label号来具体控制 用鼠标点,新生成的label号从0开始,1、2、3、4...,从Graphics-label里面能看到顺序 label graph Bonds 0 [文件名]显示0号Bond lable的长度,输出所有帧中的长度。如果写了文件名,则输出到文件中而不显示 ...
label delete Atoms all删除所有原子的label,all也可以是label号来具体控制 用鼠标点,新生成的label号从0开始,1、2、3、4...,从Graphics-label里面能看到顺序 label graph Bonds 0[文件名]显示0号Bond lable的长度,输出所有帧中的长度。如果写了文件名,则输出到文件中而不显示 ...
(select_resi)#select residues to deleteselected_resi<-atom.select(insane,resno=select_resi)#delete selected residuesinsane$atom<-insane$atom[-selected_resi$atom,]insane$calpha<-insane$calpha[-selected_resi$atom]insane$xyz<-insane$xyz[-selected_resi$xyz]#renumber residuenumbers and convert to ...
Selection entry allows the user to display arrows for a subset of atoms. *TIP*: If the arrow graphics are too crowded or the display is slow, draw arrows for an evenly spaced subset of residues, e.g try 'name CA and residue % 4 == 0', which will draw an arrow for every fourth ...
label delete Atoms all 删除所有原子的label,all也可以是label号来具体控制 用鼠标点,新生成的label号从0开始,1、2、3、4...,从Graphics-label里面能看到顺序 label graph Bonds 0 [文件名] 显示0号Bond lable的长度,输出所有帧中的长度。如果写了文件名,则输出到文件中而不显示 ...
Xleap will optimise the geometry for us. Select all atoms by dragging your mouse over the molecule (or by clicking each atom). Select “Relax selection” under the “Edit” menu. Note: The menu may not work properly if the NUM/CAPS Lock is turned on. ...